1,4a-Dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1h)-one
Basic information
- CAS
56763-86-1- Standard SMILES
CC1C(=O)C=CC2(C)CCCCC12- InChIKey
AXROIMSDXXLWMB-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 1,4a-Dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1h)-one
- IUPAC
- 1,4a-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
Names & synonyms
56763-86-11,4a-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1h)-oneNSC126343DTXSID50298819NSC-126343
Database identifiers
- CAS
56763-86-1- PubChem CID
- 277463
- DTXSID
DTXSID50298819
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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