Molecular Identity
1,1,1-TRIS(HYDROXYMETHYL)ETHANE
2-(hydroxymethyl)-2-methylpropane-1,3-diol
PubChem CID: 6502
2D Structure
Properties
C5H12O3
Molecular Formula
120.15
Molecular Weight
g/mol
120.0786
Exact Mass
Da
-1.2
XLogP
Drug-like (Lipinski: < 5)
60.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
50
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1,1,1-TRIS(HYDROXYMETHYL)ETHANE77-85-0TrimethylolethaneMethriolMetriolPentaglycerineMethyltrimethanolmethaneEthylidynetrimethanolTris(hydroxymethyl)ethane1,1,1-TrimethylolethaneMethyltrimethylolmethane1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-1,1,1-Trimethanolethane1,1,1-Tris(methylol)ethaneEthane, 1,1,1-tris(hydroxymethyl)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1,1,1-TRIS(HYDROXYMETHYL)ETHANE
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