Oleoyl chloride

C₁₈H₃₃ClOCAS 112-77-6300.91 g/mol

Open in Covalent MOL file

Acyl halide Alkene

Properties

Molecular formula: C₁₈H₃₃ClO
Molar mass: 300.91 g/mol
Exact mass: 300.2220 Da
Boiling point: 158–159 °C (at 0.05 Torr)
logP: 6.79Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 15

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

112-77-6

SMILES

CCCCCCCC/C=CCCCCCCCC(=O)Cl

InChIKey

MLQBTMWHIOYKKC-KTKRTIGZSA-N

InChI

InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3/b10-9-

Weigh it out

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

Names and synonyms

9 names

9-Octadecenoyl chloride, (9Z)-
9-Octadecenoyl chloride, (Z)-
(9Z)-9-Octadecenoyl chloride
Oleyl chloride
Oleic acid chloride
cis-9-Octadecenoyl chloride
(Z)-9-Octadecenoyl chloride
Oleic chloride
9-(Z)-Octadecen-1-oyl chloride

Reactions

Oleoyl chlorideproduct

Work with Oleoyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octanoyl chloride111-64-878 % similar Decanoyl chloride112-13-078 % similar Lauroyl chloride112-16-378 % similar Tetradecanoyl chloride112-64-178 % similar Palmitoyl chloride112-67-478 % similar Stearoyl chloride112-76-578 % similar Undecanoyl chloride17746-05-378 % similar Heptanoyl chloride2528-61-278 % similar

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

Elsewhere

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