2-Hexyn-1-ol

C₆H₁₀OCAS 764-60-398.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀O
Molar mass: 98.14 g/mol
Exact mass: 98.0732 Da
Density: 0.8943 g/mL (at 20 °C)
Boiling point: 87–89 °C (at 58 Torr)
logP: 0.78Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

764-60-3

SMILES

CCCC#CCO

InChIKey

BTDWSZJDLLLTMI-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2-3,6H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-Hexynol

Work with 2-Hexyn-1-ol

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

2-Heptyn-1-ol1002-36-471 % similar 2-Octyn-1-ol20739-58-668 % similar 2-Nonyn-1-ol5921-73-365 % similar 4-Octyne1942-45-665 % similar 3-Heptyn-1-ol14916-79-162 % similar 1,4-Butynediol110-65-653 % similar 3-Heptyne2586-89-252 % similar 2-Pentyn-1-ol6261-22-952 % similar

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

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

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