3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol

C9H20O6 — CID 22994800

IUPAC3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol
SMILESCC(C)(OCC(O)CO)OCC(O)CO
InChIInChI=1S/C9H20O6/c1-9(2,14-5-7(12)3-10)15-6-8(13)4-11/h7-8,10-13H,3-6H2,1-2H3
InChIKeyQVAWYSMXZZXSRU-UHFFFAOYSA-N
MW224.25 g/mol
LogP-1.54
Rot. Bonds8

About 3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol

3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol (PubChem CID 22994800) has the molecular formula C9H20O6 and a molecular weight of 224.25 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol
PubChem CID22994800
Molecular FormulaC9H20O6
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol
SMILESCC(C)(OCC(O)CO)OCC(O)CO
InChIInChI=1S/C9H20O6/c1-9(2,14-5-7(12)3-10)15-6-8(13)4-11/h7-8,10-13H,3-6H2,1-2H3
InChIKeyQVAWYSMXZZXSRU-UHFFFAOYSA-N
XLogP-1.54
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylbut-3-en-2-yloxy)propane-1,2-diol
CID 171441788
2,2,2-tris(2,3-dihydroxypropoxy)acetic acid
CID 88705292
3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
CID 174900161
3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
CID 18991200
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol
CID 87616479
3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol
CID 56623238
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-ol;2-(2,2-dimethylpropyl)-4,4-dimethylpentan-1-ol
CID 162148938
[1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid
CID 174675180
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol?
The IUPAC name of 3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol (CID 22994800) is 3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol?
The canonical SMILES for 3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol is CC(C)(OCC(O)CO)OCC(O)CO.
What is the InChIKey of 3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol?
The InChIKey is QVAWYSMXZZXSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6/c1-9(2,14-5-7(12)3-10)15-6-8(13)4-11/h7-8,10-13H,3-6H2,1-2H3.
What are the key properties of 3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol?
3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol has a molecular weight of 224.25 g/mol, XLogP of -1.54, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol is sourced from PubChem (CID 22994800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).