1-(2-Chloroethoxy)butane

C₆H₁₃ClOCAS 10503-96-5136.62 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₆H₁₃ClO
Molar mass: 136.62 g/mol
Exact mass: 136.0655 Da
logP: 2.04Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Identifiers

CAS number

10503-96-5

SMILES

CCCCOCCCl

InChIKey

OJMVRGXLTANFRG-UHFFFAOYSA-N

InChI

InChI=1S/C6H13ClO/c1-2-3-5-8-6-4-7/h2-6H2,1H3

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Names and synonyms

1 names

2-Chloroethyl N-butyl ether

Work with 1-(2-Chloroethoxy)butane

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

1-(2-Chloroethoxy)propane42149-74-671 % similar Dibutyl ether142-96-168 % similar Glycol dibutyl ether112-48-165 % similar Diethylene glycol dibutyl ether112-73-265 % similar 5,8,11,14,17-Pentaoxaheneicosane112-98-165 % similar Bis(chloroethyl) ether111-44-458 % similar Pentyl ether693-65-257 % similar 1,2-Bis(2-chloroethoxy)ethane112-26-555 % similar

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

Same formula

6-Chloro-1-hexanol2009-83-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook