Basic information
- CAS
111917-14-7- Standard SMILES
C=C1CCC23CCCC12CCC3- InChIKey
JRBVAAGYBLRKMS-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- (3.3.3)-Propellane, 2-methylene-
- IUPAC
- 2-methylidenetricyclo[3.3.3.01,5]undecane
Names & synonyms
(3.3.3)-Propellane, 2-methylene-111917-14-7[3.3.3]Propellane, 2-methylene-DTXSID801497841-Methylidenetetrahydro-1H,4H-3a,6a-propanopentalene
Database identifiers
- CAS
111917-14-7- PubChem CID
- 145478
- DTXSID
DTXSID80149784
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…