1,4-Pentadien-3-ol

C₅H₈OCAS 922-65-684.12 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

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

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