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

C10H22O7 — CID 87843229

IUPAC3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol
SMILESCC(OCC(O)CO)OC(C)OCC(O)CO
InChIInChI=1S/C10H22O7/c1-7(15-5-9(13)3-11)17-8(2)16-6-10(14)4-12/h7-14H,3-6H2,1-2H3
InChIKeyZIKCCRAPZNCIQM-UHFFFAOYSA-N
MW254.28 g/mol
LogP-1.57
Rot. Bonds10

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

3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol (PubChem CID 87843229) has the molecular formula C10H22O7 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol
PubChem CID87843229
Molecular FormulaC10H22O7
Molecular Weight254.28 g/mol
Exact Mass254.14
IUPAC Name3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol
SMILESCC(OCC(O)CO)OC(C)OCC(O)CO
InChIInChI=1S/C10H22O7/c1-7(15-5-9(13)3-11)17-8(2)16-6-10(14)4-12/h7-14H,3-6H2,1-2H3
InChIKeyZIKCCRAPZNCIQM-UHFFFAOYSA-N
XLogP-1.57
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]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-(4-hydroxypentan-2-yloxy)propane-1,2-diol
CID 126566671
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
CID 123265934
2-(2,3-dihydroxypropoxy)propanenitrile
CID 54069244
3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol
CID 173222430
3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol
CID 129092165
1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
CID 174650131
3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol
CID 159080569
3-(1-hydroxybut-2-enoxy)propane-1,2-diol
CID 91071629
3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)
CID 177273999
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
1,1-diethoxyethane;methane;propane-1,2,3-triol
CID 90107522

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol?
The IUPAC name of 3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol (CID 87843229) is 3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol?
The canonical SMILES for 3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol is CC(OCC(O)CO)OC(C)OCC(O)CO.
What is the InChIKey of 3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol?
The InChIKey is ZIKCCRAPZNCIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7/c1-7(15-5-9(13)3-11)17-8(2)16-6-10(14)4-12/h7-14H,3-6H2,1-2H3.
What are the key properties of 3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol?
3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol has a molecular weight of 254.28 g/mol, XLogP of -1.57, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol is sourced from PubChem (CID 87843229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).