Basic information
- CAS
42199-04-2- Standard SMILES
CC12CCC(=O)CC1CCC2O- InChIKey
HXMXWCYZIQGGHN-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 5H-Inden-5-one, octahydro-1-hydroxy-7a-methyl-
- IUPAC
- 1-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
Names & synonyms
5H-Inden-5-one, octahydro-1-hydroxy-7a-methyl-42199-04-2DTXSID40339609RefChem:305668DTXCID902906901-Hydroxy-7a-methyloctahydro-5H-inden-5-oneSCHEMBL11598907HXMXWCYZIQGGHN-UHFFFAOYSA-N1-Hydroxy-7a-methyloctahydro-5H-inden-5-one #
Database identifiers
- CAS
42199-04-2- PubChem CID
- 557263
- DTXSID
DTXSID40339609
Properties
Computed structural properties
- XLogP
- 0.8
- 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
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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