Valeric acid, 2-propyl-, 2-chloroethyl ester
Basic information
- CAS
22856-42-4- Standard SMILES
CCCC(CCC)C(=O)OCCCl- InChIKey
FJMRULIIMVRJHI-UHFFFAOYSA-N- Molecular formula
- C10H19ClO2
- Average molar mass
- 206.71 g/mol
- Monoisotopic mass
- 206.1073575
Names & identifiers
- Preferred name
- Valeric acid, 2-propyl-, 2-chloroethyl ester
- IUPAC
- 2-chloroethyl 2-propylpentanoate
Names & synonyms
2-Chloroethyl 2-propylvalerateValeric acid, 2-propyl-, 2-chloroethyl ester2-Propylvaleric acid 2-chloroethyl esterPentanoic acid, 2-propyl-, 2-chloroethyl esterDTXSID70177399RefChem:388279DTXCID709989022856-42-42-chloroethyl 2-propylpentanoate
Database identifiers
- CAS
22856-42-4- PubChem CID
- 211313
- DTXSID
DTXSID70177399
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 131
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Compound notes
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