3-(Bicyclo(2.2.1)hept-5-en-2-yl)-2-methylallyl acetate
Basic information
- CAS
94022-63-6- Standard SMILES
CC(=O)OC/C(C)=C/C1CC2C=CC1C2- InChIKey
QNNYYPAKSALPHF-WEVVVXLNSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 3-(Bicyclo(2.2.1)hept-5-en-2-yl)-2-methylallyl acetate
- IUPAC
- [(E)-3-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylprop-2-enyl] acetate
Names & synonyms
EINECS 301-561-73-(Bicyclo(2.2.1)hept-5-en-2-yl)-2-methylallyl acetate94022-63-6SCHEMBL23199660NS00064471
Database identifiers
- CAS
94022-63-6- PubChem CID
- 44150992
- EC Number
- 301-561-7
- Nikkaji
- J348.965E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…