chempirical

3-Hexanol

C6H14OCAS 623-37-0102.18 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
0.8213 g/mL (at 20 °C)
Melting point
185.5 °C
Boiling point
134.75 °C
logP
1.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
623-37-0
SMILES
CCCC(O)CC
InChIKey
ZOCHHNOQQHDWHG-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-3-5-6(7)4-2/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

4 names
  • 3-Hexyl alcohol
  • (±)-3-Hexanol
  • DL-3-Hexanol
  • NSC 60708

Work with 3-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

(3R,6R)-3,6-Octanediol129619-37-072 % similar 4-Heptanol589-55-972 % similar 3-Heptanol589-82-271 % similar 3-Octanol20296-29-168 % similar 3-Octanol589-98-068 % similar 3-Decanol1565-81-765 % similar 3-Nonanol624-51-165 % similar 3-Pentanol584-02-161 % 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

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