2,5-Dimethyl-3-hexanol

C₈H₁₈OCAS 19550-07-3130.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Density: 0.8212 g/mL (at 20 °C)
Boiling point: 157.5 °C
logP: 2.05Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

19550-07-3

SMILES

CC(C)CC(O)C(C)C

InChIKey

SNKTZHPOKPYBPT-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O/c1-6(2)5-8(9)7(3)4/h6-9H,5H2,1-4H3

Weigh it out

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

Names and synonyms

3 names

3-Hexanol, 2,5-dimethyl-
2,5-Dimethyl-3-hexyl alcohol
NSC 95420

Work with 2,5-Dimethyl-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

2-Methyl-3-pentanol565-67-350 % similar 2-Methyl-3-hexanol617-29-848 % similar 2,6-Dimethyl-4-heptanol108-82-748 % similar 4-Methyl-2-pentanol108-11-245 % similar 2,4-Dimethylpentane108-08-744 % similar Menthol1490-04-639 % similar (+)-Menthol15356-60-239 % similar (±)-Menthol15356-70-439 % similar

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

Same formula

2-Ethylhexanol104-76-7 1-Octanol111-87-5 2-Octanol123-96-6 Dibutyl ether142-96-1 5-Methyl-3-heptanol18720-65-5 3-Octanol20296-29-1 2,3,4-Trimethyl-3-pentanol3054-92-0 2,5-Dimethyl-2-hexanol3730-60-7

Elsewhere

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