1-Chloro-2-pentyne

C₅H₇ClCAS 22592-15-0102.56 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₅H₇Cl
Molar mass: 102.56 g/mol
Exact mass: 102.0236 Da
Melting point: 195 °C
logP: 1.64Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

22592-15-0

SMILES

CCC#CCCl

InChIKey

JBKXDMAPOZZDCE-UHFFFAOYSA-N

InChI

InChI=1S/C5H7Cl/c1-2-3-4-5-6/h2,5H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-Pentyne, 1-chloro-

Work with 1-Chloro-2-pentyne

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

1,4-Dichloro-2-butyne821-10-360 % similar 3-Hexyne928-49-460 % similar 10-Chloro-3-decyne18295-64-244 % similar 1-Bromo-2-pentyne16400-32-143 % similar 3-Heptyne2586-89-243 % similar 2-Pentyn-1-ol6261-22-943 % similar 2-Pentyne627-21-440 % similar 3-Hexyn-1-ol1002-28-439 % similar

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

Same formula

3-Chloro-3-methyl-1-butyne1111-97-3 5-Chloro-1-pentyne14267-92-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook