chempirical

1-Octen-3-ol

C8H16OCAS 3391-86-4128.22 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C8H16O
Molar mass
128.22 g/mol
Exact mass
128.1201 Da
Density
0.8324 g/mL (at 25 °C)
Boiling point
55–55.5 °C (at 5 Torr)
logP
2.11Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
3391-86-4
SMILES
C=CC(O)CCCCC
InChIKey
VSMOENVRRABVKN-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

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Names and synonyms

14 names · show all
  • Amyl vinyl carbinol
  • Vinyl amyl carbinol
  • 3-Hydroxy-1-octene
  • n-Oct-1-en-3-ol
  • 1-Vinylhexanol
  • Pentylvinylcarbinol
  • (±)-1-Octen-3-ol
  • Dl-1-Octen-3-ol
  • NSC 87563
  • Primaverol
  • Morrilol
  • Moguchun
  • Morillol
  • Omega

Work with 1-Octen-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Nonen-3-ol21964-44-396 % similar (±)-1-Hepten-3-ol4938-52-788 % similar 1-Vinylbutanol4798-44-172 % similar 1-Penten-3-ol616-25-152 % similar 4-Hydroxynonenal29343-52-052 % similar 4-Hydroxynonenal75899-68-252 % similar (+)-2-Heptanol6033-23-450 % similar (±)-2-Dodecanol10203-28-848 % similar

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

Same formula

3-Octanone106-68-3 2-Octanone111-13-7 1-Cyclohexylethanol1193-81-3 2-Ethylhexanal123-05-7 Octanal124-13-0 2-Methyl-3-heptanone13019-20-0 2,2,5,5-Tetramethyltetrahydrofuran15045-43-9 (E)-2-Octen-1-ol18409-17-1

Elsewhere

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