Ethyl 1-methylbicyclo(2.2.1)heptane-2-carboxylate
Basic information
- CAS
80916-48-9- Standard SMILES
CCOC(=O)C1CC2CCC1(C)C2- InChIKey
BQWABSSMSUOVEE-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- Ethyl 1-methylbicyclo(2.2.1)heptane-2-carboxylate
- IUPAC
- ethyl 1-methylbicyclo[2.2.1]heptane-2-carboxylate
- English name
- ethyl 1-methylbicyclo[2.2.1]heptane-2-carboxylate
- Molecular formula
- C11H18O2
- Molecular weight
- 182.25942
Names & synonyms
80916-48-9EINECS 279-626-3ETHYL 1-METHYLBICYCLO[2.2.1]HEPTANE-2-CARBOXYLATEEthyl 1-methylbicyclo(2.2.1)heptane-2-carboxylateDTXSID901001638RefChem:138488DTXCID901428587279-626-3BQWABSSMSUOVEE-UHFFFAOYSA-NNS00060636ethyl 4-methylbicyclo[2.2.1]heptane-3-carboxylate1-Methylbicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester
Database identifiers
- CAS
80916-48-9- PubChem CID
- 44147682
- DTXSID
DTXSID901001638- EC Number
- 279-626-3
- Nikkaji
- J296.044C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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