12-Chloro-5-dodecyne

C₁₂H₂₁ClCAS 42513-36-0200.75 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₁₂H₂₁Cl
Molar mass: 200.75 g/mol
Exact mass: 200.1332 Da
Boiling point: 92–93 °C (at 0.5 Torr)
logP: 4.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

Identifiers

CAS number

42513-36-0

SMILES

CCCCC#CCCCCCCCl

InChIKey

DJJGBABLSKSRGV-UHFFFAOYSA-N

InChI

InChI=1S/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,7-12H2,1H3

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

Names and synonyms

1 names

5-Dodecyne, 12-chloro-

Work with 12-Chloro-5-dodecyne

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

5-Dodecyne19780-12-268 % similar 10-Chloro-3-decyne18295-64-268 % similar 1-Chlorodecane1002-69-364 % similar 1-Chlorooctane111-85-364 % similar 1-Chlorododecane112-52-764 % similar 1-Chlorotetradecane2425-54-964 % similar 1-Chlorononane2473-01-064 % similar 1-Chlorooctadecane3386-33-264 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook