2,3,4-Trimethyl-3-pentanol

C8H18OCAS 3054-92-0130.23 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
0.8492 g/mL (at 20 °C)
Boiling point
156.5 °C
logP
2.05Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 119 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501

Identifiers

CAS number
3054-92-0
SMILES
CC(C)C(C)(O)C(C)C
InChIKey
PLSMHHUFDLYURK-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3

Weigh it out

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Names and synonyms

3 names
  • 3-Pentanol, 2,3,4-trimethyl-
  • 1,1-Diisopropylethanol
  • Diisopropylmethylcarbinol

Work with 2,3,4-Trimethyl-3-pentanol

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

Triptane464-06-241 % similar 2-Methyl-2-adamantanol702-98-739 % similar 3,4-Dimethyl-1-pentyn-3-ol1482-15-136 % similar 2-Isopropyladamantan-2-ol38432-77-831 % similar 1,4-Cineole470-67-731 % similar (+)-Pinanediol18680-27-830 % similar Pinanediol22422-34-030 % similar tert-Butyl titanate3087-39-630 % 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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