Basic information
- CAS
55103-68-9- Standard SMILES
CC12CCCCCCC1CCC(=O)C2- InChIKey
KRCBVVHKFKNISV-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-
- IUPAC
- 4a-methyl-1,2,4,5,6,7,8,9,10,10a-decahydrobenzo[8]annulen-3-one
Names & synonyms
2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-55103-68-9RefChem:241185DTXSID40970475KRCBVVHKFKNISV-UHFFFAOYSA-N10a-methyldecahydrobenzo[8]annulen-2(1H)-one10a-Methyldecahydrobenzo[a]cycloocten-2(1H)-one #
Database identifiers
- CAS
55103-68-9- PubChem CID
- 41325
- DTXSID
DTXSID40970475
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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