chempirical

Trimethylolpropane

C6H14O3CAS 77-99-6134.17 g/mol

Open in Covalent MOL file
HOHOOH
Alcohol

Properties

Molecular formula
C6H14O3
Molar mass
134.17 g/mol
Exact mass
134.0943 Da
Melting point
58 °C
Boiling point
160 °C (at 5 Torr)
logP
-0.64Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Identifiers

CAS number
77-99-6
SMILES
CCC(CO)(CO)CO
InChIKey
ZJCCRDAZUWHFQH-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3

Weigh it out

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

Names and synonyms

21 names · show all
  • 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-
  • 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol
  • Ethyltrimethylolmethane
  • Propane, 1,1,1-tris(hydroxymethyl)-
  • TMP
  • 1,1,1-Trimethylolpropane
  • 1,1,1-Tris(hydroxymethyl)propane
  • 2-Ethyl-2-(hydroxymethyl)propanediol
  • Ettriol
  • Tris(hydroxymethyl)propane
  • 2,2-Bis(hydroxymethyl)-1-butanol
  • Ethriol
  • TMP (alcohol)
  • 1,1,1-Tri(hydroxymethyl)propane
  • RC Crosslinker TR
  • NSC 3576
  • Addolink TR
  • 2-(Hydroxymethyl)-2-ethyl-1,3-propanediol
  • T 0480
  • 2-Ethyl-2-hydroxymethyl-1,3-propandiol
  • 9U02

Work with Trimethylolpropane

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

2,2-Diethyl-1,3-propanediol115-76-487 % similar Oxt 1013047-32-365 % similar 2-Butyl-2-ethyl-1,3-propanediol115-84-459 % similar Pentaerythritol115-77-553 % similar Trimethylolpropane-epichlorohydrin copolymer30499-70-852 % similar 2-Amino-2-ethyl-1,3-propanediol115-70-848 % similar 1,1-Cyclopropanedimethanol39590-81-347 % similar Trimethylolpropane diallyl ether682-09-746 % similar

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

Same formula

1,2,6-Hexanetriol106-69-4 Bis(2-hydroxypropyl) ether110-98-5 2-(2-Ethoxyethoxy)ethanol111-90-0 Diglyme111-96-6 1,1,3-Trimethoxypropane14315-97-0 1,1,1-Trimethoxypropane24823-81-2 2,2-Diethoxyethanol621-63-6

Elsewhere

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