2-Chloroethyl pentanoate
Basic information
- CAS
7735-33-3- Standard SMILES
CCCCC(=O)OCCCl- InChIKey
YTLCJSNLBLLPLD-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- 2-Chloroethyl pentanoate
- IUPAC
- 2-chloroethyl pentanoate
Names & synonyms
2-Chloroethyl pentanoate7735-33-3DTXSID40281513RefChem:259506DTXCID00232667YTLCJSNLBLLPLD-UHFFFAOYSA-N2-(valeroyloxy)ethyl chlorideEthanol, 2-chloro, pentanoateSCHEMBL11791883NSC21860NSC-21860AKOS006387761
Database identifiers
- CAS
7735-33-3- PubChem CID
- 228747
- DTXSID
DTXSID40281513
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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