(2-Chlorocyclohexen-1-yl) hexanoate
Basic information
- CAS
7469-76-3- Standard SMILES
CCCCCC(=O)OC1=C(Cl)CCCC1- InChIKey
KBNFUABZBFZCPA-UHFFFAOYSA-N- Molecular formula
- C12H19ClO2
- Average molar mass
- 230.73 g/mol
- Monoisotopic mass
- 230.1073575
Names & identifiers
- Preferred name
- (2-Chlorocyclohexen-1-yl) hexanoate
- IUPAC
- (2-chlorocyclohexen-1-yl) hexanoate
Names & synonyms
7469-76-3(2-chlorocyclohexen-1-yl) hexanoateNSC402208DTXSID203228722-Chlorocyclohex-1-en-1-yl hexanoateNSC-402208
Database identifiers
- CAS
7469-76-3- PubChem CID
- 345008
- DTXSID
DTXSID20322872
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
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Related reactions
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Compound notes
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