chempirical

2,4-Hexadien-1-ol

C6H10OCAS 111-28-498.14 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C6H10O
Molar mass
98.14 g/mol
Exact mass
98.0732 Da
Density
0.8967 g/mL (at 23 °C)
Melting point
30.5 °C
Boiling point
77–78 °C
logP
1.11Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
111-28-4
SMILES
CC=CC=CCO
InChIKey
MEIRRNXMZYDVDW-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Hexacose
  • Hexakose
  • 1-Hydroxy-2,4-hexadiene
  • n-Hex-2,4-dien-1-ol
  • 2,4-Hexadienol

Work with 2,4-Hexadien-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

(2E,4E)-2,4-Hexadien-1-ol17102-64-6100 % similar Crotyl alcohol6117-91-561 % similar (2E,4E)-2,4-Heptadien-1-ol33467-79-757 % similar 2-Butene-1,4-diol110-64-547 % similar cis-Butene-1,4-diol6117-80-247 % similar trans-2-Butene-1,4-diol821-11-447 % similar Codlemone33956-49-946 % similar Trans,trans-2,4-hexadiene5194-51-444 % similar

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

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2-Methylcyclopentanone1120-72-5 (2R)-2-(3-Buten-1-yl)oxirane137688-20-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook