Pentanoyl chloride

C₅H₉ClOCAS 638-29-9120.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₉ClO
Molar mass: 120.58 g/mol
Exact mass: 120.0342 Da
Melting point: −110 °C
Boiling point: 109 °C
logP: 1.94Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

638-29-9

SMILES

CCCCC(=O)Cl

InChIKey

XGISHOFUAFNYQF-UHFFFAOYSA-N

InChI

InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3

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Names and synonyms

6 names

Valeryl chloride
Valeroyl chloride
n-Pentanoyl chloride
Pentanoic acid chloride
n-Butanecarbonyl chloride
n-Valeryl chloride

Work with Pentanoyl chloride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hexanoyl chloride142-61-086 % similar Octanoyl chloride111-64-882 % similar Decanoyl chloride112-13-082 % similar Lauroyl chloride112-16-382 % similar Tetradecanoyl chloride112-64-182 % similar Palmitoyl chloride112-67-482 % similar Stearoyl chloride112-76-582 % similar Undecanoyl chloride17746-05-382 % similar

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

Same formula

Isovaleryl chloride108-12-3 4-Chlorotetrahydro-2H-pyran1768-64-5 2-(Chloromethyl)tetrahydrofuran3003-84-7 Pivaloyl chloride3282-30-2 5-Chloro-2-pentanone5891-21-4

Elsewhere

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