Basic information
- CAS
112138-33-7- Standard SMILES
C=C1CCC23CCCC12C(=O)CC3- InChIKey
HAWQSAGPCXMKQJ-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- [3.3.3]Propellane-2-one, 8-methylene
- IUPAC
- 8-methylidenetricyclo[3.3.3.01,5]undecan-2-one
Names & synonyms
112138-33-7[3.3.3]Propellane-2-one, 8-methylene(3.3.3)-Propellane-2-one, 8-methylene-DTXSID009206736-Methylidenetetrahydro-1H,4H-3a,6a-propanopentalen-1-one
Database identifiers
- CAS
112138-33-7- PubChem CID
- 145481
- DTXSID
DTXSID00920673
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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