chempirical

2-Butyn-1-ol

C4H6OCAS 764-01-270.09 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
0.958 g/mL (at 21 °C)
Melting point
−2.2 °C
Boiling point
148 °C
logP
0.00Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
764-01-2
SMILES
CC#CCO
InChIKey
NEEDEQSZOUAJMU-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O/c1-2-3-4-5/h5H,4H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 2-Butynol
  • 2-Butynyl alcohol
  • 1-Hydroxybut-2-yne
  • NSC 222371
  • 3-Methylprop-2-yn-1-ol

Reactions

Work with 2-Butyn-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-Butynediol110-65-653 % similar 3-Pentyn-1-ol10229-10-450 % similar 2,4-Hexadiyne-1,6-diol3031-68-347 % similar 2-Pentyn-1-ol6261-22-945 % similar 2-Pentyne627-21-442 % similar 3-(Trimethylsilyl)-2-propyn-1-ol5272-36-641 % similar 2-Hexyn-1-ol764-60-341 % similar 1-Bromo-2-butyne3355-28-040 % 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