1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate
Basic information
- CAS
22497-09-2- Standard SMILES
CC(=O)OC(C)(C)C1CC2C=CC1C2- InChIKey
ZFKZNKMNPKUCKM-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate
- IUPAC
- 2-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl acetate
- English name
- 1-bicyclo[2.2.1]hept-5-en-2-yl-1-methylethyl acetate
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
22497-09-2EINECS 245-037-51-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate2-(bicyclo[2.2.1]hept-5-en-2-yl)propan-2-yl acetateDTXSID40945168ZFKZNKMNPKUCKM-UHFFFAOYSA-NNS000501581-bicyclo[2.2.1]hept-5-en-2-yl-1-methylethyl acetateα,α-Dimethylbicyclo[2.2.1]hept-5-ene-2-methanol acetateBicyclo[2.2.1]hept-5-ene-2-methanol, α,α-dimethyl-, 2-acetate
Database identifiers
- CAS
22497-09-2- PubChem CID
- 90792
- DTXSID
DTXSID40945168- EC Number
- 245-037-5
- Nikkaji
- J286.224G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 278
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Compound notes
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