2-Pentyn-1-ol

C₅H₈OCAS 6261-22-984.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈O
Molar mass: 84.12 g/mol
Exact mass: 84.0575 Da
Density: 0.9091 g/mL (at 20 °C)
Boiling point: 0.154–4.2 °C
logP: 0.39Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

6261-22-9

SMILES

CCC#CCO

InChIKey

WLPYSOCRPHTIDZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3

Weigh it out

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

Names and synonyms

2 names

2-Pentynol
2-Pentynyl alcohol

Work with 2-Pentyn-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Butynediol110-65-660 % similar 3-Hexyne928-49-460 % similar 3-Hexyn-1-ol1002-28-452 % similar 2-Hexyn-1-ol764-60-352 % similar 2-Heptyn-1-ol1002-36-448 % similar 2-Octyn-1-ol20739-58-646 % similar 2-Butyn-1-ol764-01-245 % similar 2,4-Hexadiyne-1,6-diol3031-68-344 % similar

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

Same formula

3-Pentyn-1-ol10229-10-4 3-Methyl-2-butenal107-86-8 3,4-Dihydropyran110-87-2 2-Methylbut-3-yn-2-ol115-19-5 Cyclopentanone120-92-3 3-Cyclopenten-1-ol14320-38-8 (E)-2-Pentenal1576-87-0 1-Penten-3-one1629-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook