chempirical

2-Octanol

C8H18OCAS 123-96-6130.23 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C8H18O
Molar mass
130.23 g/mol
Exact mass
130.1358 Da
Density
0.82 g/mL
Melting point
−38.6 °C
Boiling point
178.5 °C
logP
2.34Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
123-96-6
SMILES
CCCCCCC(C)O
InChIKey
SJWFXCIHNDVPSH-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

17 names · show all
  • sec-Caprylic alcohol
  • Hexylmethylcarbinol
  • Methylhexylcarbinol
  • s-Octyl alcohol
  • β-Octyl alcohol
  • 1-Methylheptyl alcohol
  • 2-Octyl alcohol
  • n-Octan-2-ol
  • 2-Hydroxyoctane
  • 2-Hydroxy-n-octane
  • 1-Methyl-1-heptanol
  • 1-Methylheptanol
  • DL-2-Octanol
  • Dl-Methylhexylcarbinol
  • (±)-2-Octanol
  • (RS)-2-Octanol
  • NSC 14759

Work with 2-Octanol

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

(±)-2-Dodecanol10203-28-8100 % similar (±)-2-Decanol1120-06-5100 % similar (±)-2-Undecanol1653-30-1100 % similar 2-Octanol4128-31-8100 % similar (R)-2-Octanol5978-70-1100 % similar (+)-2-Octanol6169-06-8100 % similar 2-Nonanol628-99-9100 % similar 2-Heptanol543-49-795 % similar

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

Same formula

2-Ethylhexanol104-76-7 1-Octanol111-87-5 Dibutyl ether142-96-1 5-Methyl-3-heptanol18720-65-5 2,5-Dimethyl-3-hexanol19550-07-3 3-Octanol20296-29-1 2,3,4-Trimethyl-3-pentanol3054-92-0 2,5-Dimethyl-2-hexanol3730-60-7

Elsewhere

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