1-Chloro-6,6-dimethyl-2-hepten-4-yne

C₉H₁₃ClCAS 126764-17-8156.65 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Alkyne

Properties

Molecular formula: C₉H₁₃Cl
Molar mass: 156.65 g/mol
Exact mass: 156.0706 Da
logP: 2.83Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

126764-17-8

SMILES

CC(C)(C)C#CC=CCCl

InChIKey

ZIXABMZBMHDFEZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H13Cl/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3

Weigh it out

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

Names and synonyms

2 names

2-Hepten-4-yne, 1-chloro-6,6-dimethyl-
1-Chloro-6,6-dimethyl-2-heptene-4-yne

Work with 1-Chloro-6,6-dimethyl-2-hepten-4-yne

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-Hydroxy-6,6-dimethyl-2-heptene-4-yne114311-70-557 % similar 1-Bromo-6,6-dimethylhept-2-en-4-yne126764-15-657 % similar (2E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne78629-21-757 % similar (2E)-N,6,6-Trimethyl-2-hepten-4-yn-1-amine83554-69-253 % similar 1,4-Dichlorobut-2-ene110-57-635 % similar cis-1,4-Dichloro-2-butene1476-11-535 % similar 1,4-Dichloro-2-butene764-41-035 % similar (2E)-1-Chloro-2-butene4894-61-535 % similar

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

Elsewhere

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