chempirical

3-Octanol

C8H18OCAS 20296-29-1130.23 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
0.8279 g/mL (at 15 °C)
Melting point
−45 °C
Boiling point
171 °C
logP
2.34Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
20296-29-1
SMILES
CCCCCC(O)CC
InChIKey
NMRPBPVERJPACX-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/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

6 names
  • Ethylamylcarbinol
  • n-Octan-3-ol
  • 1-Ethyl-1-hexanol
  • (±)-3-Octanol
  • DL-3-Octanol
  • Octan-3-ol

Work with 3-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

3-Octanol589-98-0100 % similar 3-Decanol1565-81-795 % similar 3-Nonanol624-51-195 % similar 3-Heptanol589-82-286 % similar 6-Undecanol23708-56-776 % similar 4-Nonanol5932-79-670 % similar 3-Hexanol623-37-068 % similar 4-Decanol2051-31-267 % similar

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

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 2,3,4-Trimethyl-3-pentanol3054-92-0 2,5-Dimethyl-2-hexanol3730-60-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook