chempirical

2-Hexanol

C6H14OCAS 626-93-7102.18 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
0.8 g/mL
Melting point
71–72 °C
Boiling point
136 °C
logP
1.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
626-93-7
SMILES
CCCCC(C)O
InChIKey
QNVRIHYSUZMSGM-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-3-4-5-6(2)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

5 names
  • 2-Hydroxyhexane
  • (±)-2-Hexanol
  • DL-Hexan-2-ol
  • (±)-1-Methyl-1-pentanol
  • NSC 3706

Work with 2-Hexanol

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-Heptanol6033-23-485 % similar (±)-2-Dodecanol10203-28-881 % similar (±)-2-Decanol1120-06-581 % similar 2-Octanol123-96-681 % similar (±)-2-Undecanol1653-30-181 % similar (R)-2-Octanol5978-70-181 % similar (+)-2-Octanol6169-06-881 % similar 2-Nonanol628-99-981 % 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