Basic information
- CAS
91531-53-2- Standard SMILES
CC1(C)C=CC2C3(C)C(=O)CCC213- InChIKey
OVJCTRIYNKNFPK-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- Cyclopropa[1,2:1,3]dicyclopenten-3(3aH)-one, 1,2,3b,6-tetrahydro-3a,6,6-trimethyl-
- IUPAC
- 5,9,9-trimethyltricyclo[4.3.0.01,5]non-7-en-4-one
Names & synonyms
Cyclopropa[1,2:1,3]dicyclopenten-3(3aH)-one, 1,2,3b,6-tetrahydro-3a,6,6-trimethyl-DTXSID30880913OVJCTRIYNKNFPK-UHFFFAOYSA-N3a,6,6-trimethyl-1,2,3b,6-tetrahydrocyclopropa[1,2-a:1,3-a']dicyclopenten-3(3ah)-one91531-53-2NS00095928
Database identifiers
- CAS
91531-53-2- PubChem CID
- 577161
- DTXSID
DTXSID30880913
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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