Basic information
- CAS
33993-34-9- Standard SMILES
O=C1CCC(O)C2CCCCC12- InChIKey
RGHCXQPNVVXRSE-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 4-Hydroxyoctahydro-1-naphthalenone
- IUPAC
- 4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
Names & synonyms
4-HYDROXYOCTAHYDRO-1-NAPHTHALENONE33993-34-91-Keto-4-hydroxy-trans-decalinSCHEMBL30823975DTXSID10955577RGHCXQPNVVXRSE-UHFFFAOYSA-N4-Hydroxyoctahydronaphthalen-1(2H)-one4-Hydroxyoctahydro-1(2H)-naphthalenone #1(2H)-Naphthalenone, octahydro-4-hydroxy-, trans-
Database identifiers
- CAS
33993-34-9- PubChem CID
- 36653
- DTXSID
DTXSID10955577- Nikkaji
- J1.070.585A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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