2-Octyne

C₈H₁₄CAS 2809-67-8110.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄
Molar mass: 110.20 g/mol
Exact mass: 110.1096 Da
Density: 0.7596 g/mL (at 20 °C)
Melting point: −61.6 °C
Boiling point: 137.6 °C
logP: 2.59Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

2809-67-8

SMILES

CC#CCCCCC

InChIKey

QCQALVMFTWRCFI-UHFFFAOYSA-N

InChI

InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7-8H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

Methylpentylacetylene

Work with 2-Octyne

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Heptyne1119-65-984 % similar 2-Hexyne764-35-265 % similar 5-Dodecyne19780-12-262 % similar 5-Decyne1942-46-755 % similar 1-Bromo-2-octyne18495-27-752 % similar 2-Octyn-1-ol20739-58-652 % similar 3-Nonyn-1-ol31333-13-852 % similar 2-Nonyn-1-ol5921-73-350 % similar

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

Same formula

3-Octyne15232-76-5 4-Octyne1942-45-6 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 cis-Cyclooctene931-87-3

Elsewhere

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