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Oxepanes
Description:
Compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
Ancestors:
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(3,4-Epoxycyclohexyl)methyl Acrylate (stabilized with HQ)Cas Number: 64630-63-3Formula: C10H14O3 Molecular Weight: 182.22IUPAC Name: 7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoateSMILES: C=CC(=O)OCC1CCC2C(C1)O2InChIKey: DPTGFYXXFXSRIR-UHFFFAOYSA-NInChI: InChI=1S/C10H14O3/c1-2-10(11)12-6-7-3-4-8-9(5-7)13-8/h2,7-9H,1,3-6H2Synonyms: 2-Propenoic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester | SY246078 | E1384 | MFCD28364662 | (3,4-Epoxycyclohexyl)m...
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(1S,3S,6R)-N,N-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamideCas Number: 929693-35-6 Compound CID: 58084195Formula: C9H15NO2 Molecular Weight: 169.224IUPAC Name: (1S,3S,6R)-N,N-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamideSMILES: CN(C)C(=O)C1CCC2C(C1)O2InChIKey: QHORMZHJCCLTMA-RNJXMRFFSA-NInChI: InChI=1S/C9H15NO2/c1-10(2)9(11)6-3-4-7-8(5-6)12-7/h6-8H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
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4-Vinyl-1-cyclohexene-1,2-epoxideFormula: C8H12O Molecular Weight: 124.18IUPAC Name: 3-ethenyl-7-oxabicyclo[4.1.0]heptaneSMILES: C=CC1CCC2C(C1)O2InChIKey: SLJFKNONPLNAPF-UHFFFAOYSA-NInChI: InChI=1S/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2Synonyms: 1-Vinyl-3,4-epoxycyclohexane | 3-Vinyl-7-oxabicyclo(4.1.0)heptane | NSC35409 | NSC-35409 | 4-Vinylcyclohexene-1,2-epo...
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1-Methyl-1,2-epoxycyclohexaneCas Number: 1713-33-3Formula: C7H12O Molecular Weight: 112.17IUPAC Name: 1-methyl-7-oxabicyclo[4.1.0]heptaneSMILES: CC12CCCCC1O2InChIKey: FIEKVYPYFQSFTP-UHFFFAOYSA-NInChI: InChI=1S/C7H12O/c1-7-5-3-2-4-6(7)8-7/h6H,2-5H2,1H3Synonyms: SCHEMBL1262673 | 1-Methyl-1,2-cyclohexene oxide | 1,2-Epoxy-1-methylcyclohexane | 1-Methylepoxycyclohexane | 7-Oxabic...
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3-oxa-8-azabicyclo[3.2.1]octane hydrochlorideCas Number: 904316-92-3Formula: C6H12ClNO Molecular Weight: 149.619IUPAC Name: 3-oxa-8-azabicyclo[3.2.1]octane;hydrochlorideSMILES: C1CC2COCC1N2.ClInChIKey: QCOHPFLNQAVPJE-UHFFFAOYSA-NInChI: InChI=1S/C6H11NO.ClH/c1-2-6-4-8-3-5(1)7-6;/h5-7H,1-4H2;1HSynonyms: 3-OXA-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE|904316-92-3|3-Oxa-8-aza-bicyclo[3.2.1]octane hydrochloride|3-OXA-8-AZAB...
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1,6-Anhydro-β-D-glucoseCas Number: 498-07-7 EC Number: 207-855-0Formula: C6H10O5 Molecular Weight: 162.14IUPAC Name: (1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triolSMILES: C1C2C(C(C(C(O1)O2)O)O)OInChIKey: TWNIBLMWSKIRAT-VFUOTHLCSA-NInChI: InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1Synonyms: 1,6-ANHYDRO-D-GLUCOSE [USP-RS] | 1,6-Anhydro-b-D-glucopyranose | 1,6-Anhydro-b-D-glucose | Anhydro-d-mannosan | 1,6-A...
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Vinylcyclohexene dioxide (VCD)Formula: C8H12O2 Molecular Weight: 140.18IUPAC Name: 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptaneSMILES: C1CC2C(O2)CC1C3CO3InChIKey: OECTYKWYRCHAKR-UHFFFAOYSA-NInChI: InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2Synonyms: 1-Vinyl-3-cyclohexene dioxide | AS-34998 | Q2618250 | NCGC00091429-02 | 4-(Epoxyethyl)-7-oxabicyclo[4.1.0]heptane | 7...
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Isophorone OxideCas Number: 10276-21-8Formula: C9H14O2 Molecular Weight: 154.21IUPAC Name: 4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-oneSMILES: CC1(CC(=O)C2C(C1)(O2)C)CInChIKey: ROTNQFPVXVZSRL-UHFFFAOYSA-NInChI: InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3Synonyms: DTXSID00908032 | EN300-7405450 | 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-5-one | NSC 63367 | 4,4,6-Trimethyl-7-oxab...
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Hexamethylene OxideCas Number: 592-90-5Formula: C6H12O Molecular Weight: 100.16IUPAC Name: oxepaneSMILES: C1CCCOCC1InChIKey: UHHKSVZZTYJVEG-UHFFFAOYSA-NInChI: InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2Synonyms: Oxacycloheptane | SY049947 | DTXSID1060471 | CHEBI:49106 | AKOS025295505 | EINECS 209-777-2 | H0446 | Hexamethylene o...
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Oxepan-4-oneCas Number: 62643-19-0Formula: C6H10O2 Molecular Weight: 114.1IUPAC Name: oxepan-4-oneSMILES: C1CC(=O)CCOC1InChIKey: CTLGXFASUHKSGN-UHFFFAOYSA-NInChI: InChI=1S/C6H10O2/c7-6-2-1-4-8-5-3-6/h1-5H2Synonyms: oxepan-4-one|4-oxepanone|62643-19-0|MFCD20484206|SCHEMBL1120977|DTXSID80349060|CTLGXFASUHKSGN-UHFFFAOYSA-N|AKOS026729...
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TriptonideCas Number: 38647-11-9 Compound CID: 65411Formula: C20H22O6 Molecular Weight: 358.39IUPAC Name: (1S,2S,4S,5S,7S,9S,11S,13S)-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-ene-8,17-dioneSMILES: CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2=O)O7)COC6=O)CInChIKey: SWOVVKGLGOOUKI-ZHGGVEMFSA-NInChI: show moreSynonyms: (1S,2S,4S,5S,7S,9S,11S,13S)-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]ic...
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TriptolideCas Number: 38748-32-2 Compound CID: 107985Formula: C20H24O6 Molecular Weight: 360.4IUPAC Name: (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-oneSMILES: CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)CInChIKey: DFBIRQPKNDILPW-CIVMWXNOSA-NInChI: show moreSynonyms: HY-32735 | NSC839303 | NSC-839303 | CAS-5611-51-8 | SCHEMBL413634 | MLS000759410 | NCGC00163411-02 | BSPBio_001595 | ...

