Basic information
- Standard SMILES
COC(=O)C1(C)CCC(C(C)=O)CC1- InChIKey
IKBVIZKEHQOMEQ-UHFFFAOYSA-N- Molecular formula
- C11H18O3
- Average molar mass
- 198.26 g/mol
Names & identifiers
- Preferred name
- Methyl 4-acetyl-1-methylcyclohexanecarboxylate
- IUPAC
- methyl 4-acetyl-1-methylcyclohexane-1-carboxylate
Names & synonyms
methyl 4-acetyl-1-methylcyclohexanecarboxylateSCHEMBL9044623IKBVIZKEHQOMEQ-UHFFFAOYSA-Nmethyl 4-acetyl-1-methyl-1-cyclohexanecarboxylate
Database identifiers
- PubChem CID
- 19004752
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Related reactions
6 records
Compound notes
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