chempirical

(±)-1-Hepten-3-ol

C7H14OCAS 4938-52-7114.19 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C7H14O
Molar mass
114.19 g/mol
Exact mass
114.1045 Da
Density
0.835 g/mL (at 22 °C)
Boiling point
153.5–154 °C
logP
1.72Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Warning
Flammable (GHS02)

Aggregated from 1,418 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
4938-52-7
SMILES
C=CC(O)CCCC
InChIKey
PZKFYTOLVRCMOA-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • 1-Hepten-3-ol
  • NSC 93797
  • 1-Vinylpentanol

Work with (±)-1-Hepten-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-Octen-3-ol3391-86-488 % similar 1-Nonen-3-ol21964-44-384 % similar 1-Vinylbutanol4798-44-175 % similar 1-Penten-3-ol616-25-154 % similar (R)-(-)-2-Hexanol26549-24-648 % similar (S)-(+)-2-Hexanol52019-78-048 % similar 2-Hexanol626-93-748 % similar Nonan-5-ol623-93-846 % similar

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

Same formula

Cyclohexylmethanol100-49-2 3-Heptanone106-35-4 5-Methyl-2-hexanone110-12-3 2-Heptanone110-43-0 Heptanal111-71-7 4-Heptanone123-19-3 1-Ethylcyclopentanol1462-96-0 2,3-Dimethylpentanal32749-94-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook