2-Methylcyclohexyl pentanoate
Basic information
- CAS
5726-22-7- Standard SMILES
CCCCC(=O)OC1CCCCC1C- InChIKey
MIGMVMOWKWRKCV-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 2-Methylcyclohexyl pentanoate
- IUPAC
- (2-methylcyclohexyl) pentanoate
Names & synonyms
2-Methylcyclohexyl pentanoate5726-22-7DTXSID10972749NSC21886NSC-21886
Database identifiers
- CAS
5726-22-7- PubChem CID
- 228764
- DTXSID
DTXSID10972749
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
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Related reactions
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Compound notes
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