Ethyl 2-ethyl-3,4,4-trimethylcyclohexene-1-carboxylate
Basic information
- CAS
58535-04-9- Standard SMILES
CCOC(=O)C1=C(CC)C(C)C(C)(C)CC1- InChIKey
KETGEUHOOPRZHH-UHFFFAOYSA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.17763
Names & identifiers
- Preferred name
- Ethyl 2-ethyl-3,4,4-trimethylcyclohexene-1-carboxylate
- IUPAC
- ethyl 2-ethyl-3,4,4-trimethylcyclohexene-1-carboxylate
Database identifiers
- CAS
58535-04-9- PubChem CID
- 94100
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
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Compound notes
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