Basic information
- CAS
64046-45-3- Standard SMILES
CC(C)C1CCC(OC(=O)CCl)CC1- InChIKey
DJFWFDVJXJZDST-UHFFFAOYSA-N- Molecular formula
- C11H19ClO2
- Average molar mass
- 218.72 g/mol
- Monoisotopic mass
- 218.1073575
Names & identifiers
- Preferred name
- Acetic acid, chloro-, 4-isopropylcyclohexyl ester
- IUPAC
- (4-propan-2-ylcyclohexyl) 2-chloroacetate
- English name
- Chloroacetic acid 4-isopropylcyclohexyl ester
- Molecular formula
- C11H19ClO2
- Molecular weight
- 218.72
Names & synonyms
64046-45-3Isopropylcyclohexyl chloroacetateACETIC ACID, CHLORO-, 4-ISOPROPYLCYCLOHEXYL ESTERDTXSID10214090NSC 6881RefChem:316584DTXCID10136581NSC6881Chloroacetic acid 4-isopropylcyclohexyl esterNSC-68814-(Propan-2-yl)cyclohexyl chloroacetateDB-318899
Show more names
Acetic acid, 2-chloro-, 4-(1-methylethyl)cyclohexyl ester
Acetic acid, 4-(1-methylethyl)cyclohexyl ester
Database identifiers
- CAS
64046-45-3- PubChem CID
- 46630
- DTXSID
DTXSID10214090- Nikkaji
- J85.218J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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