2-(Butan-2-yl)cyclohexyl chloroacetate
Basic information
- CAS
91883-22-6- Standard SMILES
CCC(C)C1CCCCC1OC(=O)CCl- InChIKey
RGBMXRHDGBCMQK-UHFFFAOYSA-N- Molecular formula
- C12H21ClO2
- Average molar mass
- 232.74 g/mol
- Monoisotopic mass
- 232.1230076
Names & identifiers
- Preferred name
- 2-(Butan-2-yl)cyclohexyl chloroacetate
- IUPAC
- (2-butan-2-ylcyclohexyl) 2-chloroacetate
Names & synonyms
91883-22-62-(butan-2-yl)cyclohexyl chloroacetateNSC78830DTXSID00291875NSC-78830
Database identifiers
- CAS
91883-22-6- PubChem CID
- 254445
- DTXSID
DTXSID00291875
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
- 206
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Related reactions
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Compound notes
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