Ethyl 4-cyclohexylbutanoate
Basic information
- CAS
17851-38-6- Standard SMILES
CCOC(=O)CCCC1CCCCC1- InChIKey
WPXJWOPKMCYCRW-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Ethyl 4-cyclohexylbutanoate
- IUPAC
- ethyl 4-cyclohexylbutanoate
Names & synonyms
NSC40492517851-38-6ethyl 4-cyclohexylbutanoateSCHEMBL5827221SCHEMBL7289731SCHEMBL28082070DTXSID90323811AKOS017265125NSC-404925
Database identifiers
- CAS
17851-38-6- PubChem CID
- 346649
- DTXSID
DTXSID90323811- Nikkaji
- J3.649.225B
Properties
Computed structural properties
- XLogP
- 4.1
- 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
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Related reactions
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Compound notes
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