3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol

C7H16O5 — CID 56623238

IUPAC3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)COCC(O)CO
InChIInChI=1S/C7H16O5/c1-7(11,4-9)5-12-3-6(10)2-8/h6,8-11H,2-5H2,1H3
InChIKeyCZOCDDZAFIHOBQ-UHFFFAOYSA-N
MW180.20 g/mol
LogP-1.90
Rot. Bonds6

About 3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol

3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol (PubChem CID 56623238) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol
PubChem CID56623238
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)COCC(O)CO
InChIInChI=1S/C7H16O5/c1-7(11,4-9)5-12-3-6(10)2-8/h6,8-11H,2-5H2,1H3
InChIKeyCZOCDDZAFIHOBQ-UHFFFAOYSA-N
XLogP-1.90
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
CID 174900161
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
(2R,4S)-2-methylpentane-1,2,4,5-tetrol
CID 54145508
3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
CID 21136336
1-[3-(2,3-dihydroxy-2-methylpropoxy)-2-hydroxy-2-methylpropoxy]-2-methylbutane-2,3-diol
CID 87087604
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
butane-1,2,4-triol;2-methylpropane-1,2,3-triol
CID 157412120
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol?
The IUPAC name of 3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol (CID 56623238) is 3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol?
The canonical SMILES for 3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol is CC(O)(CO)COCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol?
The InChIKey is CZOCDDZAFIHOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5/c1-7(11,4-9)5-12-3-6(10)2-8/h6,8-11H,2-5H2,1H3.
What are the key properties of 3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol?
3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol has a molecular weight of 180.20 g/mol, XLogP of -1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol is sourced from PubChem (CID 56623238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).