3,5-Dimethyl-3-hexanol

C8H18OCAS 4209-91-0130.23 g/mol

Open in Covalent MOL file
OH
Alcohol

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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364

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

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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

3,6-Dimethyl-3-heptanol1573-28-063 % similar 3-Methyl-3-pentanol77-74-759 % similar Tetrahydrolinalool78-69-359 % similar 4,6-Dimethylhept-1-en-4-ol32189-75-653 % similar 3-Methyl-3-heptanol5582-82-145 % 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

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 4-Ethyl-3-hexanol19780-44-0 3-Octanol20296-29-1

Elsewhere

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