chempirical

(+)-2-Octanol

C8H18OCAS 6169-06-8130.23 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
0.8152 g/mL (at 25 °C)
Boiling point
176–177 °C
logP
2.34Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
6169-06-8
SMILES
CCCCCC[C@H](C)O
InChIKey
SJWFXCIHNDVPSH-QMMMGPOBSA-N
InChI
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • 2-Octanol, (2S)-
  • 2-Octanol, (S)-(+)-
  • 2-Octanol, (S)-
  • (2S)-2-Octanol
  • d-2-Octanol
  • (S)-(+)-2-Octanol
  • (S)-(+)-2-Octyl alcohol
  • (S)-1-Methylheptyl alcohol
  • D-(+)-Octan-2-ol
  • (S)-2-Octanol
  • (2S)-Octanol
  • (S)-2-Octyl alcohol

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

Same formula

2-Ethylhexanol104-76-7 1-Octanol111-87-5 2-Octanol123-96-6 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook