3,5-Dimethyl-3-hexanol

C₈H₁₈OCAS 4209-91-0130.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Density: 0.83 g/mL (at 15 °C)
Boiling point: 151 °C (at 768 Torr)
logP: 2.19Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

4209-91-0

SMILES

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

InChIKey

INMGJWCKWKKMPN-UHFFFAOYSA-N

InChI

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

3-Hexanol, 3,5-dimethyl-
NSC 95422

Work with 3,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methyl-3-pentanol77-74-759 % similar Tetrahydrolinalool78-69-359 % similar 3-Methyl-3-octanol5340-36-343 % similar 3-Methyl-3-nonanol21078-72-842 % similar 2,4,7,9-Tetramethyl-5-decyne-4,7-diol126-86-341 % similar 2,2,4-Trimethylpentane540-84-140 % similar α-Ethyl-α-methylbenzenepropanol10415-87-938 % similar Dihydrolinalool18479-51-138 % 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

PubChem CAS Common Chemistry NIST WebBook