6-Methyl-2-heptyne

C₈H₁₄CAS 51065-64-6110.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄
Molar mass: 110.20 g/mol
Exact mass: 110.1096 Da
logP: 2.45Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

51065-64-6

SMILES

CC#CCCC(C)C

InChIKey

HIEALULIKYDRQN-UHFFFAOYSA-N

InChI

InChI=1S/C8H14/c1-4-5-6-7-8(2)3/h8H,6-7H2,1-3H3

Weigh it out

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

Work with 6-Methyl-2-heptyne

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-Methyl-1-hexyne2203-80-746 % similar 4-Methylpentanenitrile542-54-146 % similar 2-Hexyne764-35-243 % similar 2,5-Dimethylhexane592-13-242 % similar 3-Pentyn-1-ol10229-10-442 % similar 2-Methylpentane107-83-541 % similar 2-Pentyne627-21-441 % similar 2-Heptyne1119-65-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oct-3-yne15232-76-5 4-Octyne1942-45-6 2-Octyne2809-67-8 1,7-Octadiene3710-30-3 2,5-Dimethyl-1,5-hexadiene627-58-7 1-Octyne629-05-0 Vinylcyclohexane695-12-5 2,5-Dimethyl-2,4-hexadiene764-13-6

Elsewhere

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