(3.3.3)-Propellane-2-one
Basic information
- CAS
88288-20-4- Standard SMILES
O=C1CCC23CCCC12CCC3- InChIKey
REDJCHITNLSFNY-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- (3.3.3)-Propellane-2-one
- IUPAC
- tricyclo[3.3.3.01,5]undecan-2-one
Names & synonyms
(3.3.3)-Propellane-2-one88288-20-4DTXSID30236936RefChem:207818DTXCID60159427[3.3.3]Propellane-2-onetetrahydro-1H,4H-3a,6a-propanopentalen-1-one
Database identifiers
- CAS
88288-20-4- PubChem CID
- 145157
- DTXSID
DTXSID30236936
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
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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