This is a demo store. No orders will be fulfilled.
Alpha,beta-unsaturated carbonyl compounds
Description:
Carbonyl compounds with the general structure R#CC(=O)R' or R=CC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group.
-
2-Methyl-1-penten-3-oneCas Number: 25044-01-3Formula: C6H10O Molecular Weight: 98.143SMILES: CCC(=O)C(=C)CInChIKey: GHHGVSCQWPVENX-UHFFFAOYSA-NInChI: InChI=1S/C6H10O/c1-4-6(7)5(2)3/h2,4H2,1,3H3 -
1-Hexen-3-oneCas Number: 1629-60-3 Compound CID: 15395Formula: C6H10O Molecular Weight: 98.14IUPAC Name: hex-1-en-3-oneSMILES: CCCC(=O)C=CInChIKey: JTHNLKXLWOXOQK-UHFFFAOYSA-NInChI: InChI=1S/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3
-
3-Ethynyl-3-Hydroxy-1-Methylpyrrolidin-2-OneCas Number: 1202769-93-4Formula: C7H9NO2 Molecular Weight: 139.15SMILES: CN1CCC(C1=O)(C#C)OInChIKey: RKJOSOCBDGSTIJ-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO2/c1-3-7(10)4-5-8(2)6(7)9/h1,10H,4-5H2,2H3
-
(2E)-3-Cyclohexyl-2-propenalCas Number: 37868-74-9Formula: C9H14O Molecular Weight: 138.20686SMILES: C1CCC(CC1)C=CC=OInChIKey: ULHBPBSHMQBWSC-QPJJXVBHSA-NInChI: InChI=1S/C9H14O/c10-8-4-7-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2/b7-4+
-
4-Methyl-2-pentenalCas Number: 5362-56-1 EC Number: 226-348-5, 839-179-2 Compound CID: 5916154IUPAC Name: (E)-4-methylpent-2-enalSMILES: CC(C)C=CC=OInChIKey: RIWPMNBTULNXOH-ONEGZZNKSA-NInChI: InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3+
-
1-(2，6，6-Trimethyl-cyclohex-2-enyl)-but-2-en-1-oneCas Number: 43052-87-5 Compound CID: 5366077Formula: C13H20O Molecular Weight: 192.3IUPAC Name: (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-oneSMILES: CC=CC(=O)C1C(=CCCC1(C)C)CInChIKey: CRIGTVCBMUKRSL-FNORWQNLSA-NInChI: InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
-
Hex-3-en-2-oneCas Number: 763-93-9 Compound CID: 5367744Formula: C6H10O Molecular Weight: 98.14IUPAC Name: (E)-hex-3-en-2-oneSMILES: CCC=CC(=O)CInChIKey: LPCWMYHBLXLJJQ-SNAWJCMRSA-NInChI: InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4-5H,3H2,1-2H3/b5-4+
-
3-Methylhept-6-en-1-yn-3-olCas Number: 51193-99-8 Compound CID: 142821Formula: C8H12O Molecular Weight: 124.18IUPAC Name: 3-methylhept-6-en-1-yn-3-olSMILES: CC(CCC=C)(C#C)OInChIKey: PVJVUJJZSINIGV-UHFFFAOYSA-NInChI: InChI=1S/C8H12O/c1-4-6-7-8(3,9)5-2/h2,4,9H,1,6-7H2,3H3
-
3-Methoxy-3-methylbut-1-yneIUPAC Name: 3-methoxy-3-methylbut-1-yneSMILES: CC(C)(C#C)OCInChIKey: ZYDXBIXQPLRRIK-UHFFFAOYSA-NInChI: InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3
-
(S)-tert-Butyl (2，6-dimethyl-3-oxohept-1-en-4-yl)carbamateCas Number: 247068-81-1 Compound CID: 57661775Formula: C14H25NO3 Molecular Weight: 255.35IUPAC Name: tert-butyl N-[(4S)-2,6-dimethyl-3-oxohept-1-en-4-yl]carbamateSMILES: CC(C)CC(C(=O)C(=C)C)NC(=O)OC(C)(C)CInChIKey: BRMIWZWAGRRHEN-NSHDSACASA-NInChI: InChI=1S/C14H25NO3/c1-9(2)8-11(12(16)10(3)4)15-13(17)18-14(5,6)7/h9,11H,3,8H2,1-2,4-7H3,(H,15,17)/t11-/m0/s1
-
(E)-6-methylhept-3-en-2-oneCas Number: 20859-10-3 EC Number: 606-433-7, 606-660-1 Compound CID: 5462986Formula: C8H14O Molecular Weight: 126.2IUPAC Name: (E)-6-methylhept-3-en-2-oneSMILES: CC(C)CC=CC(=O)CInChIKey: RSNMTAYSENLHOW-GQCTYLIASA-NInChI: InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h4,6-7H,5H2,1-3H3/b6-4+
-
3-Ethoxymethylene-2，4-pentanedioneCas Number: 33884-41-2 Compound CID: 240418Formula: C8H12O3 Molecular Weight: 156.18IUPAC Name: 3-(ethoxymethylidene)pentane-2,4-dioneSMILES: CCOC=C(C(=O)C)C(=O)CInChIKey: ITTXGKOHFZJUEX-UHFFFAOYSA-NInChI: InChI=1S/C8H12O3/c1-4-11-5-8(6(2)9)7(3)10/h5H,4H2,1-3H3
