2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol

C10H22O5 — CID 10130709

IUPAC2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)COCC(C)(CO)CO
InChIInChI=1S/C10H22O5/c1-9(3-11,4-12)7-15-8-10(2,5-13)6-14/h11-14H,3-8H2,1-2H3
InChIKeyPKKMTXYTMIUYND-UHFFFAOYSA-N
MW222.28 g/mol
LogP-1.02
Rot. Bonds8

About 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol

2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol (PubChem CID 10130709) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol
PubChem CID10130709
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)COCC(C)(CO)CO
InChIInChI=1S/C10H22O5/c1-9(3-11,4-12)7-15-8-10(2,5-13)6-14/h11-14H,3-8H2,1-2H3
InChIKeyPKKMTXYTMIUYND-UHFFFAOYSA-N
XLogP-1.02
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol (CID 10130709) is 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol is CC(CO)(CO)COCC(C)(CO)CO.
What is the InChIKey of 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol?
The InChIKey is PKKMTXYTMIUYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c1-9(3-11,4-12)7-15-8-10(2,5-13)6-14/h11-14H,3-8H2,1-2H3.
What are the key properties of 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol?
2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol has a molecular weight of 222.28 g/mol, XLogP of -1.02, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 10130709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).