2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol

C8H18O5 — CID 21493299

IUPAC2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol
SMILESCC(O)COCC(CO)(CO)CO
InChIInChI=1S/C8H18O5/c1-7(12)2-13-6-8(3-9,4-10)5-11/h7,9-12H,2-6H2,1H3
InChIKeyQZHSOJGAMIGVOX-UHFFFAOYSA-N
MW194.23 g/mol
LogP-1.65
Rot. Bonds7

About 2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol

2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol (PubChem CID 21493299) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol
PubChem CID21493299
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol
SMILESCC(O)COCC(CO)(CO)CO
InChIInChI=1S/C8H18O5/c1-7(12)2-13-6-8(3-9,4-10)5-11/h7,9-12H,2-6H2,1H3
InChIKeyQZHSOJGAMIGVOX-UHFFFAOYSA-N
XLogP-1.65
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol (CID 21493299) is 2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol is CC(O)COCC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol?
The InChIKey is QZHSOJGAMIGVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5/c1-7(12)2-13-6-8(3-9,4-10)5-11/h7,9-12H,2-6H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol?
2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol has a molecular weight of 194.23 g/mol, XLogP of -1.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol is sourced from PubChem (CID 21493299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).