Basic information
- CAS
4242-00-6- Standard SMILES
CC12CCC(=O)C=C1CCCC2O- InChIKey
KLAHBFOZHSNBDV-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 5-Hydroxy-4a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one
- IUPAC
- 5-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Names & synonyms
5-hydroxy-4a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one4242-00-6DTXSID60302951RefChem:303428DTXCID40254085NSC155453SCHEMBL4232349KLAHBFOZHSNBDV-UHFFFAOYSA-N5-hydroxy-4a-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenoneAKOS024264449NSC-1554534,4a,5,6,7,8-hexahydro-5-hydroxy-4a-methyl-2(3h)-naphthalenone
Database identifiers
- CAS
4242-00-6- PubChem CID
- 290965
- DTXSID
DTXSID60302951- Nikkaji
- J1.313.260G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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