1-Methylpropyl cyclohexanecarboxylate
Basic information
- CAS
6553-82-8- Standard SMILES
CCC(C)OC(=O)C1CCCCC1- InChIKey
ZCNBPOAOAOYPLJ-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 1-Methylpropyl cyclohexanecarboxylate
- IUPAC
- butan-2-yl cyclohexanecarboxylate
- English name
- 1-methylpropyl cyclohexanecarboxylate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
1-Methylpropyl cyclohexanecarboxylate6553-82-8butan-2-yl cyclohexanecarboxylateEINECS 229-477-5SCHEMBL2240092DTXSID90984128ZCNBPOAOAOYPLJ-UHFFFAOYSA-NNS00046965Cyclohexanecarboxylic acid, 1-methylpropyl esterCyclohexanecarboxylic acid sec-butyl esterCyclohexanecarboxylic acid 1-methylpropyl ester
Database identifiers
- CAS
6553-82-8- PubChem CID
- 110902
- DTXSID
DTXSID90984128- EC Number
- 229-477-5
- Nikkaji
- J225.186H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- LogP
- 3.65 · 3.650 (est)
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Compound notes
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