chempirical

Trimethylolethane

C5H12O3CAS 77-85-0120.15 g/mol

Open in Covalent MOL file
HOHOOH
Alcohol

Properties

Molecular formula
C5H12O3
Molar mass
120.15 g/mol
Exact mass
120.0786 Da
Density
1.498 g/mL (at 25 °C)
Melting point
204 °C
Boiling point
137 °C (at 15 Torr)
logP
-1.03Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
77-85-0
SMILES
CC(CO)(CO)CO
InChIKey
QXJQHYBHAIHNGG-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3

Weigh it out

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

Names and synonyms

22 names · show all
  • 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-
  • 2-(Hydroxymethyl)-2-methyl-1,3-propanediol
  • Ethane, 1,1,1-tris(hydroxymethyl)-
  • Methyltrimethanolmethane
  • Metriol
  • TME
  • Trimet
  • 1,1,1-Trimethylolethane
  • 1,1,1-Tris(hydroxymethyl)ethane
  • 2-Methyl-2-hydroxymethyl-1,3-propanediol
  • 1,1,1-Tris(methylol)ethane
  • 1,1,1-Trimethanolethane
  • Methriol
  • 2,2-Di(hydroxymethyl)propanol
  • Pentaglycerine
  • 2,2-Bis(hydroxymethyl)-1-propanol
  • NSC 65581
  • 1,1,1-Tris(hydroxylmethyl)ethane
  • 2-Hydroxymethylene-2-methyl-1,3-propanediol
  • 2-Hydroxymethyl-2-methylpropan-1,3-diol
  • Isopentanetriol
  • 2-(Hydroxymethyl)-2-methyl-propanediol

Work with Trimethylolethane

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

2-Methyl-2-propyl-1,3-propanediol78-26-256 % similar Neopentyl glycol126-30-753 % similar 2-Methyl-1,2-propanediol558-43-047 % similar 2-Amino-2-methyl-1,3-propanediol115-69-544 % similar Aminomethyl propanol124-68-544 % similar 2,2-Difluoro-1-propanol33420-52-944 % similar Pentaerythritol115-77-543 % similar 3-Chloro-2,2-dimethylpropanol13401-56-440 % similar

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

Same formula

2-(2-Methoxyethoxy)ethanol111-77-3 Trimethyl orthoacetate1445-45-0 1,1,2-Trimethoxyethane24332-20-5 1,3-Dimethoxy-2-propanol623-69-8

Elsewhere

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