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Basic information
- Standard SMILES
CC1=C2C=CC(=O)C[C@@]2(C)CCC1- InChIKey
UMKOLZAUDGXBRU-GFCCVEGCSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- (8aR)-5,8a-dimethyl-1,6,7,8-tetrahydronaphthalen-2-one
- IUPAC
- (8aR)-5,8a-dimethyl-1,6,7,8-tetrahydronaphthalen-2-one
Names & synonyms
NSC620030CHEMBL1975895NSC-620030NCI60_005908
Database identifiers
- PubChem CID
- 359286
- ChEMBL
CHEMBL1975895
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
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Compound notes
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