5-Methyl-2-hexanol

C₇H₁₆OCAS 627-59-8116.20 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

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

2,5-Hexanediol2935-44-675 % similar 6-Methyl-2-heptanol4730-22-770 % similar 2,5-Dimethylhexane592-13-256 % similar 4-Methyl-2-pentanol108-11-255 % similar 1,3-Butanediol107-88-052 % similar (+)-1,3-Butanediol24621-61-252 % similar (+)-2-Pentanol26184-62-352 % similar 2-Pentanol6032-29-752 % 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

PubChem CAS Common Chemistry NIST WebBook