3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol

C8H18O4 — CID 18991200

IUPAC3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
SMILESCC(C)(CO)COCC(O)CO
InChIInChI=1S/C8H18O4/c1-8(2,5-10)6-12-4-7(11)3-9/h7,9-11H,3-6H2,1-2H3
InChIKeyBWYOUFLKCWODAS-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.63
Rot. Bonds6

About 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol

3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol (PubChem CID 18991200) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
PubChem CID18991200
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
SMILESCC(C)(CO)COCC(O)CO
InChIInChI=1S/C8H18O4/c1-8(2,5-10)6-12-4-7(11)3-9/h7,9-11H,3-6H2,1-2H3
InChIKeyBWYOUFLKCWODAS-UHFFFAOYSA-N
XLogP-0.63
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-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

3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol
CID 56623238
3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
CID 174900161
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol
CID 137404860
3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
CID 21136336
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
2,2-bis(2-hydroxybutoxymethyl)butan-1-ol;bis(3-(2-hydroxybutoxy)propane-1,2-diol)
CID 167586490
1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
CID 142384045
3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol
CID 138481907

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol?
The IUPAC name of 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol (CID 18991200) is 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol.
What is the SMILES notation for 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol?
The canonical SMILES for 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol is CC(C)(CO)COCC(O)CO.
What is the InChIKey of 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol?
The InChIKey is BWYOUFLKCWODAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-8(2,5-10)6-12-4-7(11)3-9/h7,9-11H,3-6H2,1-2H3.
What are the key properties of 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol?
3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol has a molecular weight of 178.23 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol is sourced from PubChem (CID 18991200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).