Basic information
- CAS
86917-80-8- Standard SMILES
C=C(C)C1CCC2(C)CC(=O)C=C(C)C2C1- InChIKey
IVZATFCVCDHOLU-UHFFFAOYSA-N- Molecular formula
- C15H22O
- Average molar mass
- 218.33 g/mol
- Monoisotopic mass
- 218.16706532
Overview
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Names & identifiers
- Preferred name
- 4,8a-Dimethyl-6-(prop-1-en-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one
- IUPAC
- 4,8a-dimethyl-6-prop-1-en-2-yl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
Names & synonyms
(5beta,7beta,10beta)-3,11-Eudesmadien-2-oneSCHEMBL21112084IVZATFCVCDHOLU-UHFFFAOYSA-NLDA917794,8a-dimethyl-6-(prop-1-en-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one6-Isopropenyl-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one6-Isopropenyl-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone #[4aS-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone
Database identifiers
- CAS
86917-80-8- PubChem CID
- 565648
- Nikkaji
- J2.379.423C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 364
Experimental & physicochemical properties
Melting Point38 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
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Compound notes
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