Basic information
- CAS
60784-53-4- Standard SMILES
CCCC(=O)OCCC1CCCCC1- InChIKey
GNBJUWAKDIYBIH-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 2-Cyclohexylethyl butyrate
- IUPAC
- 2-cyclohexylethyl butanoate
Names & synonyms
2-Cyclohexylethyl butyrateR0PEN8RKTTUNII-R0PEN8RKTTButanoic acid, 2-cyclohexylethyl ester60784-53-4SCHEMBL1866736Q27287624
Database identifiers
- CAS
60784-53-4- PubChem CID
- 67192537
- UNII
- R0PEN8RKTT
- Nikkaji
- J160.113J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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