chempirical

Isohexanol

C6H14OCAS 626-89-1102.18 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C6H14O
Molar mass
102.18 g/mol
Exact mass
102.1045 Da
Density
0.8156 g/mL (at 20 °C)
Boiling point
151.9 °C
logP
1.41Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
626-89-1
SMILES
CC(C)CCCO
InChIKey
PCWGTDULNUVNBN-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Pentanol, 4-methyl-
  • Isohexyl alcohol
  • 4-Methyl-1-pentanol
  • iso-Hexanol
  • 2-Methyl-5-pentanol
  • NSC 91492
  • Anglamol 6085U
  • 4-Methylamyl alcohol

Work with Isohexanol

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

Isoamyl alcohol123-51-367 % similar 3,7-Dimethyl-1-octanol106-21-861 % similar 2,7-Dimethyloctane1072-16-859 % similar 6-Methyl-2-heptanol4730-22-748 % similar Pristane1921-70-648 % similar 2-Methylhexane591-76-448 % similar 2,5-Dimethylhexane592-13-247 % similar Squalane111-01-345 % similar

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

Same formula

2-Methyl-1-pentanol105-30-6 4-Methyl-2-pentanol108-11-2 Diisopropyl ether108-20-3 1-Hexanol111-27-3 Di-N-propyl ether111-43-3 Pinacolyl alcohol464-07-3 2-Methyl-3-pentanol565-67-3 3-Methyl-1-pentanol589-35-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia