chempirical

4-Pentyn-2-ol

C5H8OCAS 2117-11-584.12 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C5H8O
Molar mass
84.12 g/mol
Exact mass
84.0575 Da
Density
0.8918 g/mL (at 20 °C)
Boiling point
128 °C
logP
0.39Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
2117-11-5
SMILES
C#CCC(C)O
InChIKey
JTHLRRZARWSHBE-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3

Weigh it out

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

Names and synonyms

8 names
  • 4-Pentyne-2-ol
  • 1-Pentyn-4-ol
  • 4-Hydroxy-1-pentyne
  • (±)-4-Pentyn-2-ol
  • (RS)-4-Pentyn-2-ol
  • (RS)-1-Pentyn-4-ol
  • 1-Methyl-3-butyn-1-ol
  • 1-Methyl-3-butynyl alcohol

Work with 4-Pentyn-2-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

4-Heptyn-2-ol19781-81-846 % similar 2,5-Hexanediol2935-44-643 % similar 2,4-Pentanediol625-69-443 % similar (-)-2-Butanol14898-79-439 % similar (±)-2-Butanol15892-23-639 % similar (+)-2-Butanol4221-99-239 % similar R-(-)-1,2-Propanediol4254-14-239 % similar (+)-1,2-Propanediol4254-15-339 % 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