chempirical

1-Vinylbutanol

C6H12OCAS 4798-44-1100.16 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C6H12O
Molar mass
100.16 g/mol
Exact mass
100.0888 Da
Density
0.834 g/mL (at 22 °C)
Boiling point
134 °C
logP
1.33Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
4798-44-1
SMILES
C=CC(O)CCC
InChIKey
BVOSSZSHBZQJOI-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 1-Hexen-3-ol
  • Propylvinylcarbinol
  • 3-Hydroxy-1-hexene
  • (±)-1-Hexen-3-ol
  • 1-Propylallyl alcohol
  • NSC 89701

Work with 1-Vinylbutanol

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-Hepten-3-ol4938-52-775 % similar 1-Octen-3-ol3391-86-472 % similar 1-Nonen-3-ol21964-44-369 % similar 1-Penten-3-ol616-25-158 % similar 3-Butene-1,2-diol497-06-348 % similar 1,5-Hexadien-3-ol924-41-446 % similar (Trans,trans)-4-ethenyl-4′-propyl-1,1′-bicyclohexyl116020-44-142 % similar 4-Heptanol589-55-942 % similar

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

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 (±)-2-Methylpentanal123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook