5-Chloropentyl acetate

C₇H₁₃ClO₂CAS 20395-28-2164.63 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₇H₁₃ClO₂
Molar mass: 164.63 g/mol
Exact mass: 164.0604 Da
Density: 1.0648 g/mL (at 20 °C)
Boiling point: 103 °C (at 18 Torr)
logP: 1.96Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

20395-28-2

SMILES

CC(=O)OCCCCCCl

InChIKey

ZCYVIAZIVJNAMO-UHFFFAOYSA-N

InChI

InChI=1S/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names

1-Pentanol, 5-chloro-, 1-acetate
1-Pentanol, 5-chloro-, acetate
5-Chloro-1-amyl acetate
5-Chloro-1-acetoxypentane
5-Chloro-1-pentanol acetate
5-Chloro-1-pentyl acetate
1-Acetoxy-5-chloropentane
NSC 76003

Work with 5-Chloropentyl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chlorobutyl acetate6962-92-196 % similar Hexylene glycol diacetate6222-17-975 % similar 1,5-Diacetoxypentane6963-44-675 % similar Butylene glycol diacetate628-67-171 % similar 1,3-Diacetoxypropane628-66-064 % similar Heptyl acetate112-06-162 % similar Octyl acetate112-14-162 % similar Decyl acetate112-17-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Hexyl chloroformate6092-54-2 Isobutyl L-(-)-2-chloropropionate83261-15-8

Elsewhere

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