2,3,4-Trimethyl-3-pentanol

C₈H₁₈OCAS 3054-92-0130.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Density: 0.8492 g/mL (at 20 °C)
Boiling point: 156.5 °C
logP: 2.05Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

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

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

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 1,4-Cineole470-67-731 % similar (+)-Pinanediol18680-27-830 % 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 3-Octanol20296-29-1 2,5-Dimethyl-2-hexanol3730-60-7

Elsewhere

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