Basic information
- Standard SMILES
CC1CCCCC1.CCOC(C)=O- InChIKey
NQQAEEXAPGMYKB-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
Names & identifiers
- Preferred name
- Ethyl acetate methylcyclohexane
- IUPAC
- ethyl acetate;methylcyclohexane
Names & synonyms
methylcyclohexane EtOAcethyl acetate methylcyclohexanemethylcyclohexane ethyl acetateSCHEMBL1299241NQQAEEXAPGMYKB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66985183
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 91.5
Related reactions
5 records
Compound notes
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