Cas no 39012-15-2 (Isoacolamone)
Isoacolamone structure
Product Name:Isoacolamone
CAS No:39012-15-2
MF:C15H24O
MW:220.350464820862
CID:2082739
PubChem ID:71587143
Update Time:2025-04-21
Isoacolamone Chemical and Physical Properties
Names and Identifiers
-
- Isoacolamone
- (2S)-3,4,4a,5,6,8aβ-Hexahydro-4aα,8-dimethyl-2α-isopropylnaphthalen-1(2H)-one
- (2S,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-one
- [2S-(2alpha,4aalpha,8abeta)]-3,4,4a,5,6,8a-Hexahydro-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone
- 39012-15-2
- G6Z260XW5R
- 1(2H)-NAPHTHALENONE, 3,4,4A,5,6,8A-HEXAHYDRO-4A,8-DIMETHYL-2-(1-METHYLETHYL)-, (2S-(2.ALPHA.,4A.ALPHA.,8A.BETA.))-
- DTXSID10192288
- UNII-G6Z260XW5R
- 1(2H)-NAPHTHALENONE, 3,4,4A,5,6,8A-HEXAHYDRO-4A,8-DIMETHYL-2-(1-METHYLETHYL)-, (2S,4AR,8AR)-
- Q27278860
- CHEBI:195970
- 1(2H)-NAPHTHALENONE, 3,4,4A,5,6,8A-HEXAHYDRO-4A,8-DIMETHYL-2-(1-METHYLETHYL)-, (2S-(2ALPHA,4AALPHA,8ABETA))-
- DTXCID20114779
-
- Inchi： 1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h6,10,12-13H,5,7-9H2,1-4H3/t12-,13+,15+/m0/s1
- InChI Key： OUIUORSUNABXEN-GZBFAFLISA-N
- SMILES： O=C1[C@H](C(C)C)CC[C@@]2(C)CCC=C(C)[C@@H]21
Computed Properties
- Exact Mass: 220.182715385g/mol
- Monoisotopic Mass: 220.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 17.1?2
Isoacolamone Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
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