2-Methylcyclohexyl 2-methylpentanoate
Basic information
- CAS
5448-34-0- Standard SMILES
CCCC(C)C(=O)OC1CCCCC1C- InChIKey
AFZVDXFCPUPESB-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- 2-Methylcyclohexyl 2-methylpentanoate
- IUPAC
- (2-methylcyclohexyl) 2-methylpentanoate
Names & synonyms
5448-34-02-methylcyclohexyl 2-methylpentanoateNSC17922DTXSID40280682NSC-17922
Database identifiers
- CAS
5448-34-0- PubChem CID
- 226935
- DTXSID
DTXSID40280682
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
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Related reactions
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Compound notes
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