3a-Methyloctahydrocyclobuta[1,2-a:3,4-a']dicyclopenten-1(2h)-one
Basic information
- CAS
32659-18-0- Standard SMILES
CC12CCC(=O)C1C1CCCC12- InChIKey
WQQMLSBIJXWSGC-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 3a-Methyloctahydrocyclobuta[1,2-a:3,4-a']dicyclopenten-1(2h)-one
- IUPAC
- 6-methyltricyclo[5.3.0.02,6]decan-3-one
Names & synonyms
32659-18-03a-methyloctahydrocyclobuta[1,2-a:3,4-a']dicyclopenten-1(2h)-oneNSC107259DTXSID80296045NSC-107259
Database identifiers
- CAS
32659-18-0- PubChem CID
- 267689
- DTXSID
DTXSID80296045
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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