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Acetals
Description:
Compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
Ancestors:
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2，2-Dimethyl-1，3-dioxan-5-olCas Number: 3391-30-8 Compound CID: 11029884Formula: C6H12O3 Molecular Weight: 132.16IUPAC Name: 2,2-dimethyl-1,3-dioxan-5-olSMILES: CC1(OCC(CO1)O)CInChIKey: CGNOMSJAJQUXAT-UHFFFAOYSA-NInChI: InChI=1S/C6H12O3/c1-6(2)8-3-5(7)4-9-6/h5,7H,3-4H2,1-2H3 -
2，2-DIMETHYL-1，3-DIOXANE-5-CARBOXYLIC ACIDCas Number: 162635-09-8 Compound CID: 15223224Formula: C7H12O4 Molecular Weight: 160.17IUPAC Name: 2,2-dimethyl-1,3-dioxane-5-carboxylic acidSMILES: CC1(OCC(CO1)C(=O)O)CInChIKey: XUUUBCBLTSCBMO-UHFFFAOYSA-NInChI: InChI=1S/C7H12O4/c1-7(2)10-3-5(4-11-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
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2-(3-Chloropropyl)-2,5,5-trimethyl-1,3-dioxaneCas Number: 88128-57-8 Compound CID: 13199890Formula: C10H19ClO2 Molecular Weight: 206.71IUPAC Name: 2-(3-chloropropyl)-2,5,5-trimethyl-1,3-dioxaneSMILES: CC1(COC(OC1)(C)CCCCl)CInChIKey: LESDKFYPLUGGMG-UHFFFAOYSA-NInChI: InChI=1S/C10H19ClO2/c1-9(2)7-12-10(3,13-8-9)5-4-6-11/h4-8H2,1-3H3
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1，4-DIOXASPIRO[4.5]DECANE-8-ACETONITRILECas Number: 124499-37-2 Compound CID: 10241426Formula: C10H15NO2 Molecular Weight: 181.23IUPAC Name: 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetonitrileSMILES: C1CC2(CCC1CC#N)OCCO2InChIKey: BLIRGGYUBXDIHJ-UHFFFAOYSA-NInChI: InChI=1S/C10H15NO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-5,7-8H2
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1，4-Dioxaspiro[4，5]dec-7-en-8-boronic acidCas Number: 850567-90-7 Compound CID: 44118765Formula: C8H13BO4 Molecular Weight: 184IUPAC Name: 1,4-dioxaspiro[4.5]dec-7-en-8-ylboronic acidSMILES: B(C1=CCC2(CC1)OCCO2)(O)OInChIKey: WDXCZWJQOFPQOS-UHFFFAOYSA-NInChI: InChI=1S/C8H13BO4/c10-9(11)7-1-3-8(4-2-7)12-5-6-13-8/h1,10-11H,2-6H2
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1，4-DIOXASPIRO[4.5]DECANE-8-ACETIC ACIDCas Number: 134136-04-2 Compound CID: 15101121Formula: C10H16O4 Molecular Weight: 200.23IUPAC Name: 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetic acidSMILES: C1CC2(CCC1CC(=O)O)OCCO2InChIKey: RDZCSTLPRXANJV-UHFFFAOYSA-NInChI: InChI=1S/C10H16O4/c11-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h8H,1-7H2,(H,11,12)
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1，4-DIOXASPIRO[4.5]DEC-8-YLIDENEACETONITRILECas Number: 124499-35-0 Compound CID: 22624677Formula: C10H13NO2 Molecular Weight: 179.21IUPAC Name: 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetonitrileSMILES: C1CC2(CCC1=CC#N)OCCO2InChIKey: IGDLFUWXBQNWJP-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h3H,1-2,4-5,7-8H2
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1，4-Dioxaspiro[4.5]decan-8-ylmethanamineIUPAC Name: 1,4-dioxaspiro[4.5]decan-8-ylmethanamineSMILES: C1CC2(CCC1CN)OCCO2InChIKey: OEBYRQFXIBUGSR-UHFFFAOYSA-NInChI: InChI=1S/C9H17NO2/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-7,10H2
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1，4-Dioxa-spiro[4.5]dec-8-yl methanesulfonateCas Number: 141120-33-4 Compound CID: 14966741Formula: C9H16O5S Molecular Weight: 236.28IUPAC Name: 1,4-dioxaspiro[4.5]decan-8-yl methanesulfonateSMILES: CS(=O)(=O)OC1CCC2(CC1)OCCO2InChIKey: XSLHQJJTBVYMJX-UHFFFAOYSA-NInChI: InChI=1S/C9H16O5S/c1-15(10,11)14-8-2-4-9(5-3-8)12-6-7-13-9/h8H,2-7H2,1H3
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(R)-2，2-Dimethyl-1，3-dioxolane-4-carboxylic acidCas Number: 114746-70-2 Compound CID: 10855606Formula: C6H10O4 Molecular Weight: 146.14IUPAC Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acidSMILES: CC1(OCC(O1)C(=O)O)CInChIKey: OZPFVBLDYBXHAF-SCSAIBSYSA-NInChI: InChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
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Ethyl 8-formyl-1，4-dioxaspiro[4.5]decane-8-carboxylateCas Number: 1006686-08-3 Compound CID: 59030594Formula: C12H18O5 Molecular Weight: 242.27IUPAC Name: ethyl 8-formyl-1,4-dioxaspiro[4.5]decane-8-carboxylateSMILES: CCOC(=O)C1(CCC2(CC1)OCCO2)C=OInChIKey: MKIVRVCORBPIQI-UHFFFAOYSA-NInChI: InChI=1S/C12H18O5/c1-2-15-10(14)11(9-13)3-5-12(6-4-11)16-7-8-17-12/h9H,2-8H2,1H3
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8，8-Difluoro-1，4-dioxaspiro[4.5]decaneCas Number: 176251-49-3 Compound CID: 22225014Formula: C8H12F2O2 Molecular Weight: 178.18IUPAC Name: 8,8-difluoro-1,4-dioxaspiro[4.5]decaneSMILES: C1CC(CCC12OCCO2)(F)FInChIKey: FLSBLABUGHZWBS-UHFFFAOYSA-NInChI: InChI=1S/C8H12F2O2/c9-7(10)1-3-8(4-2-7)11-5-6-12-8/h1-6H2
