bis(2,3-dihydroxypropyl) icosanedioate

C26H50O8 — CID 14631093

IUPACbis(2,3-dihydroxypropyl) icosanedioate
SMILESO=C(CCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO)OCC(O)CO
InChIInChI=1S/C26H50O8/c27-19-23(29)21-33-25(31)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26(32)34-22-24(30)20-28/h23-24,27-30H,1-22H2
InChIKeyHYQYDDWRVPUCBZ-UHFFFAOYSA-N
MW490.68 g/mol
LogP3.80
Rot. Bonds25

About bis(2,3-dihydroxypropyl) icosanedioate

bis(2,3-dihydroxypropyl) icosanedioate (PubChem CID 14631093) has the molecular formula C26H50O8 and a molecular weight of 490.68 g/mol. Its IUPAC name is bis(2,3-dihydroxypropyl) icosanedioate.

Molecular Properties

Compound Namebis(2,3-dihydroxypropyl) icosanedioate
PubChem CID14631093
Molecular FormulaC26H50O8
Molecular Weight490.68 g/mol
Exact Mass490.35
IUPAC Namebis(2,3-dihydroxypropyl) icosanedioate
SMILESO=C(CCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO)OCC(O)CO
InChIInChI=1S/C26H50O8/c27-19-23(29)21-33-25(31)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26(32)34-22-24(30)20-28/h23-24,27-30H,1-22H2
InChIKeyHYQYDDWRVPUCBZ-UHFFFAOYSA-N
XLogP3.80
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.68
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2,3-dihydroxypropyl] 34-hydroxytetratriacontanoate
CID 162985486
8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
CID 51136413
2,3-dihydroxypropyl 24,25-dihydroxypentacosanoate
CID 87511702
2,3-dihydroxypropyl 10,11-dihydroxyundecanoate
CID 18431994
2,3-dihydroxypropyl octadecanoate
CID 159321215
[(2S)-2,3-dihydroxypropyl] nonanoate
CID 70789772
2,3-dihydroxypropyl tetracosanoate
CID 14542801
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
2,3-dihydroxypropyl dodecanoate;ethanol
CID 158629488
2,3-dihydroxypropyl octadecanoate;zinc
CID 87251976
[(2R)-2,3-dihydroxypropyl] octanoate;ethane
CID 71627387
2,3-dihydroxypropyl octadecanoate;polane
CID 173093514

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydroxypropyl) icosanedioate?
The IUPAC name of bis(2,3-dihydroxypropyl) icosanedioate (CID 14631093) is bis(2,3-dihydroxypropyl) icosanedioate.
What is the SMILES notation for bis(2,3-dihydroxypropyl) icosanedioate?
The canonical SMILES for bis(2,3-dihydroxypropyl) icosanedioate is O=C(CCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO)OCC(O)CO.
What is the InChIKey of bis(2,3-dihydroxypropyl) icosanedioate?
The InChIKey is HYQYDDWRVPUCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O8/c27-19-23(29)21-33-25(31)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26(32)34-22-24(30)20-28/h23-24,27-30H,1-22H2.
What are the key properties of bis(2,3-dihydroxypropyl) icosanedioate?
bis(2,3-dihydroxypropyl) icosanedioate has a molecular weight of 490.68 g/mol, XLogP of 3.80, 25 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydroxypropyl) icosanedioate is sourced from PubChem (CID 14631093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).