3-Methyl-2,4-pentanediol

C₆H₁₄O₂CAS 5683-44-3118.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₄O₂
Molar mass: 118.18 g/mol
Exact mass: 118.0994 Da
Density: 0.9325 g/mL (at 20 °C)
Boiling point: 211.5 °C
logP: 0.38Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

5683-44-3

SMILES

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

InChIKey

RBQLGIKHSXQZTB-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O2/c1-4(5(2)7)6(3)8/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

3 names

2,4-Pentanediol, 3-methyl-
3-Methylpentanediol-2,4
NSC 66498

Work with 3-Methyl-2,4-pentanediol

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

(+)-2,3-Butanediol19132-06-062 % similar (2R,3R)-Butanediol24347-58-862 % similar 2,3-Butanediol513-85-962 % similar 1-Cyclopropylethanol765-42-444 % similar (2S,3R,4S)-4-Hydroxyisoleucine55399-93-442 % similar Rel-(2R,3S)-3-mercapto-2-butanol37887-04-042 % similar 3-Mercapto-2-butanol54812-86-142 % similar 1-Cyclopentylethanol52829-98-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,1-Diethoxyethane105-57-7 2-Methyl-2,4-pentanediol107-41-5 2-Butoxyethanol111-76-2 1-Propoxy-2-propanol1569-01-3 2,5-Hexanediol2935-44-6 3-Methyl-1,5-pentanediol4457-71-0 3-Methoxy-3-methyl-1-butanol56539-66-3 1,6-Hexanediol629-11-8

Elsewhere

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