chempirical

3-Butyn-2-ol

C4H6OCAS 65337-13-570.09 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C4H6O
Molar mass
70.09 g/mol
Exact mass
70.0419 Da
Density
0.8858 g/mL (at 20 °C)
Melting point
−3 °C
Boiling point
106.5 °C
logP
0.00Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
65337-13-5
SMILES
C#CC(C)O
InChIKey
GKPOMITUDGXOSB-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Methyl ethynyl carbinol
  • 1-Butyn-3-ol
  • 1-Methyl-2-propyn-1-ol
  • 3-Methyl-1-propyn-3-ol
  • 3-Hydroxy-1-butyne
  • α-Methylpropargyl alcohol
  • 1-Methylpropargyl alcohol
  • 1-Methyl-2-propynyl alcohol
  • 2-Hydroxy-3-butyne
  • (±)-But-1-yn-3-ol
  • (±)-3-Butyn-2-ol
  • (RS)-1-Butyn-3-ol
  • DL-1-Butyn-3-ol
  • NSC 222370

Work with 3-Butyn-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

(+)-1-Butyn-3-ol42969-65-3100 % similar 3-Hexyne-2,5-diol3031-66-150 % similar Lactonitrile78-97-743 % similar 3-Methyl-1-butyne598-23-242 % similar 1-Pentyn-3-ol4187-86-438 % similar 3-Hexyn-2-ol109-50-236 % similar 1-Hexyn-3-ol105-31-735 % similar 1-Heptyn-3-ol7383-19-932 % similar

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

Same formula

Divinyl ether109-93-3 Cyclobutanone1191-95-3 2,3-Dihydrofuran1191-99-7 trans-Crotonaldehyde123-73-9 Cyclopropanecarboxaldehyde1489-69-6 2,5-Dihydrofuran1708-29-8 3-Butyn-2-ol2028-63-9 (S)-(-)-1-Butyn-3-ol2914-69-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook