5-Methyl-2-hexanol

C7H16OCAS 627-59-8116.20 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C7H16O
Molar mass
116.20 g/mol
Exact mass
116.1201 Da
Density
0.8145 g/mL (at 20 °C)
Melting point
135–140 °C
Boiling point
151 °C
logP
1.80Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
627-59-8
SMILES
CC(C)CCC(C)O
InChIKey
ZDVJGWXFXGJSIU-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

3 names
  • 2-Hexanol, 5-methyl-
  • (±)-5-Methyl-2-hexanol
  • 1,4-Dimethyl-1-pentanol

Work with 5-Methyl-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

(2R,5R)-2,5-Hexanediol17299-07-975 % similar 2,5-Hexanediol2935-44-675 % similar (2S,5S)-(+)-Hexanediol34338-96-075 % similar 6-Methyl-2-heptanol4730-22-770 % similar 2,5-Dimethylhexane592-13-256 % similar 4-Methyl-2-pentanol108-11-255 % similar (2R)-4-Methylpentan-2-ol16404-54-955 % similar 1,3-Butanediol107-88-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Heptanol111-70-6 2,2-Dimethyl-3-pentanol3970-62-5 Hexyl methyl ether4747-07-3 2-Heptanol543-49-7 4-Heptanol589-55-9 3-Heptanol589-82-2 3-Ethyl-3-pentanol597-49-9 2,4-Dimethyl-3-pentanol600-36-2

Elsewhere

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