chempirical

3-Buten-2-ol

C4H8OCAS 598-32-372.11 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C4H8O
Molar mass
72.11 g/mol
Exact mass
72.0575 Da
Density
0.8318 g/mL (at 20 °C)
Melting point
59–59.5 °C
Boiling point
96–97 °C (at 756 Torr)
logP
0.55Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
598-32-3
SMILES
C=CC(C)O
InChIKey
MKUWVMRNQOOSAT-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3

Weigh it out

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

Names and synonyms

12 names
  • 3-Hydroxy-1-butene
  • 1-Buten-3-ol
  • 1-Methyl-2-propen-1-ol
  • Methylvinylcarbinol
  • 1-Methyl-2-propenol
  • 1-Methylallyl alcohol
  • α-Methylallyl alcohol
  • 2-Hydroxy-3-butene
  • (±)-3-Buten-2-ol
  • Racemic-3-buten-2-ol
  • NSC 17481
  • 1-Methylprop-2-enyl alcohol

Work with 3-Buten-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,5-Hexadiene-3,4-diol1069-23-442 % similar 3-Methyl-1,4-pentadiene1115-08-842 % similar 3-Methyl-1-butene563-45-142 % similar 1,4-Pentadien-3-ol922-65-642 % similar 1-Penten-3-ol616-25-138 % similar 3-Chloro-1-butene563-52-036 % similar 1-Vinylbutanol4798-44-135 % similar 3-Butene-1,2-diol497-06-333 % similar

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

Same formula

1,2-Epoxybutane106-88-7 Ethyl vinyl ether109-92-2 Tetrahydrofuran109-99-9 2-Methoxypropene116-11-0 Butyraldehyde123-72-8 Deuterated thf1693-74-9 cis-2,3-Epoxybutane1758-33-4 trans-2,3-Dimethyloxirane21490-63-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook