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

C10H22O6 — CID 87231822

IUPAC3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol
SMILESCCCC(OCC(O)CO)OCC(O)CO
InChIInChI=1S/C10H22O6/c1-2-3-10(15-6-8(13)4-11)16-7-9(14)5-12/h8-14H,2-7H2,1H3
InChIKeyRDJIARNQYVDKNY-UHFFFAOYSA-N
MW238.28 g/mol
LogP-1.15
Rot. Bonds10

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

3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol (PubChem CID 87231822) has the molecular formula C10H22O6 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol
PubChem CID87231822
Molecular FormulaC10H22O6
Molecular Weight238.28 g/mol
Exact Mass238.14
IUPAC Name3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol
SMILESCCCC(OCC(O)CO)OCC(O)CO
InChIInChI=1S/C10H22O6/c1-2-3-10(15-6-8(13)4-11)16-7-9(14)5-12/h8-14H,2-7H2,1H3
InChIKeyRDJIARNQYVDKNY-UHFFFAOYSA-N
XLogP-1.15
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-(2,3-dihydroxypropoxy)butoxy]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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol?
The IUPAC name of 3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol (CID 87231822) is 3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol?
The canonical SMILES for 3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol is CCCC(OCC(O)CO)OCC(O)CO.
What is the InChIKey of 3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol?
The InChIKey is RDJIARNQYVDKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6/c1-2-3-10(15-6-8(13)4-11)16-7-9(14)5-12/h8-14H,2-7H2,1H3.
What are the key properties of 3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol?
3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol has a molecular weight of 238.28 g/mol, XLogP of -1.15, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydroxypropoxy)butoxy]propane-1,2-diol is sourced from PubChem (CID 87231822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).