1,6-Heptadien-4-ol

C7H12OCAS 2883-45-6112.17 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C7H12O
Molar mass
112.17 g/mol
Exact mass
112.0888 Da
Density
0.8644 g/mL (at 20 °C)
Boiling point
151 °C
logP
1.50Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Warning
Flammable (GHS02)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
2883-45-6
SMILES
C=CCC(O)CC=C
InChIKey
UTGFOWQYZKTZTN-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2

Weigh it out

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

Names and synonyms

4 names
  • 4-Hydroxy-1,6-heptadiene
  • NSC 97509
  • Diallylmethanol
  • Hepta-1,6-dien-4-ol

Work with 1,6-Heptadien-4-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

3-Cyclopenten-1-ol14320-38-850 % similar 4-Penten-2-ol625-31-050 % similar 1,5-Hexadien-3-ol924-41-450 % similar 4-Methyl-1-pentene691-37-243 % similar Glyceryl allyl ether123-34-239 % similar Allylcyclohexane2114-42-339 % similar 2-(2-Propen-1-yl)propanedioic acid2583-25-738 % similar 4-Methyl-1-hexene3769-23-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3,4-Dimethyl-1-pentyn-3-ol1482-15-1 3-Heptyn-1-ol14916-79-1 3-Cyclohexene-1-methanol1679-51-2 Methylenecyclohexane oxide185-70-6 trans-2-Heptenal18829-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook