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

C12H26O4 — CID 123831120

IUPAC2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol
SMILESCC(C)C(C)(C)COCC(CO)(CO)CO
InChIInChI=1S/C12H26O4/c1-10(2)11(3,4)8-16-9-12(5-13,6-14)7-15/h10,13-15H,5-9H2,1-4H3
InChIKeyIOWCYACZCJFXDY-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.65
Rot. Bonds8

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

2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol (PubChem CID 123831120) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol
PubChem CID123831120
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol
SMILESCC(C)C(C)(C)COCC(CO)(CO)CO
InChIInChI=1S/C12H26O4/c1-10(2)11(3,4)8-16-9-12(5-13,6-14)7-15/h10,13-15H,5-9H2,1-4H3
InChIKeyIOWCYACZCJFXDY-UHFFFAOYSA-N
XLogP0.65
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-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

Related Compounds

2-[[3-hydroxy-2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 11038293
2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 175404874
2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 161328567
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene
CID 174805597
2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol
CID 21493299
2-[[2-[2,2-bis(hydroxymethyl)butoxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88891736
acetic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 159579214
2-[[2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 167106238
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-methylpentanoic acid
CID 175145054
1-deuterio-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 175690399
hexane-1,6-diol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 87123368
3-methoxy-2-[[3-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propan-1-ol
CID 170224357

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol (CID 123831120) is 2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol is CC(C)C(C)(C)COCC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol?
The InChIKey is IOWCYACZCJFXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-10(2)11(3,4)8-16-9-12(5-13,6-14)7-15/h10,13-15H,5-9H2,1-4H3.
What are the key properties of 2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol?
2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol has a molecular weight of 234.34 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol is sourced from PubChem (CID 123831120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).