5,5-Dimethyl-6-(4-oxocyclohex-2-en-1-yl)-3,4,4a,6,7,8-hexahydronaphthalen-2-one
Basic information
- CAS
93998-31-3- Standard SMILES
CC1(C)C2CCC(=O)C=C2CCC1C1C=CC(=O)CC1- InChIKey
CLCQBWOMWTYTPG-UHFFFAOYSA-N- Molecular formula
- C18H24O2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.17763
Names & identifiers
- Preferred name
- 5,5-Dimethyl-6-(4-oxocyclohex-2-en-1-yl)-3,4,4a,6,7,8-hexahydronaphthalen-2-one
- IUPAC
- 5,5-dimethyl-6-(4-oxocyclohex-2-en-1-yl)-3,4,4a,6,7,8-hexahydronaphthalen-2-one
Names & synonyms
93998-31-3NSC533015,5-dimethyl-6-(4-oxocyclohex-2-en-1-yl)-3,4,4a,6,7,8-hexahydronaphthalen-2-oneDTXSID90287904NSC-533015,5-dimethyl-6-(4-oxocyclohex-2-en-1-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one
Database identifiers
- CAS
93998-31-3- PubChem CID
- 243457
- DTXSID
DTXSID90287904
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 496
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Compound notes
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