2,5-Dimethyl-2-hexanol

C₈H₁₈OCAS 3730-60-7130.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Density: 0.8158 g/mL (at 20 °C)
Boiling point: 154.5 °C
logP: 2.19Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

3730-60-7

SMILES

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

InChIKey

JPUIYNHIEXIFMV-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

2 names

2-Hexanol, 2,5-dimethyl-
NSC 5594

Work with 2,5-Dimethyl-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

2,6-Dimethyl-2-heptanol13254-34-777 % similar 2,2,5-Trimethylhexane3522-94-952 % similar 3,6-Dimethyl-1-heptyn-3-ol19549-98-548 % similar 3,7-Dimethyl-1,7-octanediol107-74-447 % similar 3-Methyl-1,3-butanediol2568-33-446 % similar 2-Methyl-2-pentanol590-36-346 % similar 2,6-Dimethyl-7-octen-2-ol18479-58-845 % similar Heptaminol hydrochloride543-15-745 % 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 2,5-Dimethyl-3-hexanol19550-07-3 3-Octanol20296-29-1 2,3,4-Trimethyl-3-pentanol3054-92-0

Elsewhere

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