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

C7H16O4 — CID 174900161

IUPAC3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
SMILESCC(C)(O)COCC(O)CO
InChIInChI=1S/C7H16O4/c1-7(2,10)5-11-4-6(9)3-8/h6,8-10H,3-5H2,1-2H3
InChIKeyGJEAMULXXDXIAI-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.87
Rot. Bonds5

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

3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol (PubChem CID 174900161) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
PubChem CID174900161
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
SMILESCC(C)(O)COCC(O)CO
InChIInChI=1S/C7H16O4/c1-7(2,10)5-11-4-6(9)3-8/h6,8-10H,3-5H2,1-2H3
InChIKeyGJEAMULXXDXIAI-UHFFFAOYSA-N
XLogP-0.87
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol
CID 56623238
3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
CID 18991200
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
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol
CID 22994800
(2R)-3-(2,2,3,3,4,4,4-heptafluorobutoxy)propane-1,2-diol
CID 95757053
1-(2-methoxypropoxy)-2-methylpropan-2-ol
CID 157369312
2,2-bis(2-hydroxybutoxymethyl)butan-1-ol;bis(3-(2-hydroxybutoxy)propane-1,2-diol)
CID 167586490
3-[2-[2-[2-[3-[2-[2-[2-(2,3-dihydroxypropoxy)-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]propane-1,2-diol
CID 169009146

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol?
The IUPAC name of 3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol (CID 174900161) is 3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol?
The canonical SMILES for 3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol is CC(C)(O)COCC(O)CO.
What is the InChIKey of 3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol?
The InChIKey is GJEAMULXXDXIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-7(2,10)5-11-4-6(9)3-8/h6,8-10H,3-5H2,1-2H3.
What are the key properties of 3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol?
3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol has a molecular weight of 164.20 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol is sourced from PubChem (CID 174900161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).