Basic information
- CAS
55103-65-6- Standard SMILES
CC12CCCCCCC1CC(=O)C2- InChIKey
VIAAFIHAQJWMER-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- 2H-Cyclopentacycloocten-2-one, decahydro-3a-methyl-, trans-
- IUPAC
- 3a-methyl-3,4,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-2-one
Names & synonyms
2H-Cyclopentacycloocten-2-one, decahydro-3a-methyl-, trans-55103-65-6RefChem:268612DTXSID80970474VIAAFIHAQJWMER-UHFFFAOYSA-N3a-Methyldecahydro-2H-cyclopenta[8]annulen-2-one3a-Methyldecahydro-2H-cyclopenta[a]cycloocten-2-one #
Database identifiers
- CAS
55103-65-6- PubChem CID
- 41324
- DTXSID
DTXSID80970474
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
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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