1,4-Pentadien-3-ol

C5H8OCAS 922-65-684.12 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C5H8O
Molar mass
84.12 g/mol
Exact mass
84.0575 Da
Density
0.8648 g/mL (at 19 °C)
Boiling point
115.5 °C
logP
0.72Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501

Identifiers

CAS number
922-65-6
SMILES
C=CC(O)C=C
InChIKey
ICMWSAALRSINTC-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2

Weigh it out

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

Names and synonyms

4 names
  • Divinylcarbinol
  • Diethenylmethyl alcohol
  • 3-Hydroxy-1,4-pentadiene
  • Divinylmethanol

Work with 1,4-Pentadien-3-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

1,5-Hexadiene-3,4-diol1069-23-450 % similar 3-Buten-2-ol598-32-342 % similar 3-Butene-1,2-diol497-06-338 % similar 1-Penten-3-ol616-25-136 % similar 1,5-Hexadien-3-ol924-41-436 % similar 3-Methyl-1,4-pentadiene1115-08-833 % similar 1-Vinylbutanol4798-44-133 % similar 3-Methyl-1-butene563-45-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Pentyn-1-ol10229-10-4 3-Methyl-2-butenal107-86-8 3,4-Dihydropyran110-87-2 2-Methylbut-3-yn-2-ol115-19-5 Cyclopentanone120-92-3 3-Cyclopenten-1-ol14320-38-8 (E)-2-Pentenal1576-87-0 1-Penten-3-one1629-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook