chempirical

3-Buten-1-ol

C4H8OCAS 627-27-072.11 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
0.848 g/mL (at 17 °C)
Boiling point
113.5 °C
logP
0.55Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
627-27-0
SMILES
C=CCCO
InChIKey
ZSPTYLOMNJNZNG-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2

Weigh it out

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

Names and synonyms

9 names
  • 1-Buten-4-ol
  • 3-Butenyl alcohol
  • Allylcarbinol
  • 1-Hydroxy-3-butene
  • Homoallyl alcohol
  • 4-Hydroxy-1-butene
  • β-Vinylethanol
  • NSC 60194
  • But-3-en-1-ol

Work with 3-Buten-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

5-Hexen-1-ol821-41-063 % similar 10-Undecen-1-ol112-43-660 % similar 9-Decen-1-ol13019-22-260 % similar 1,6-Heptadiene3070-53-947 % similar 1,7-Octadiene3710-30-347 % similar 1,9-Decadiene1647-16-144 % similar 1,13-Tetradecadiene21964-49-844 % similar 1,8-Nonadiene4900-30-544 % 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