2,3-dihydroxypropyl 10,11-dihydroxyundecanoate

C14H28O6 — CID 18431994

IUPAC2,3-dihydroxypropyl 10,11-dihydroxyundecanoate
SMILESO=C(CCCCCCCCC(O)CO)OCC(O)CO
InChIInChI=1S/C14H28O6/c15-9-12(17)7-5-3-1-2-4-6-8-14(19)20-11-13(18)10-16/h12-13,15-18H,1-11H2
InChIKeyNCBZJEIVHAIQHK-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.36
Rot. Bonds13

About 2,3-dihydroxypropyl 10,11-dihydroxyundecanoate

2,3-dihydroxypropyl 10,11-dihydroxyundecanoate (PubChem CID 18431994) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 10,11-dihydroxyundecanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 10,11-dihydroxyundecanoate
PubChem CID18431994
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name2,3-dihydroxypropyl 10,11-dihydroxyundecanoate
SMILESO=C(CCCCCCCCC(O)CO)OCC(O)CO
InChIInChI=1S/C14H28O6/c15-9-12(17)7-5-3-1-2-4-6-8-14(19)20-11-13(18)10-16/h12-13,15-18H,1-11H2
InChIKeyNCBZJEIVHAIQHK-UHFFFAOYSA-N
XLogP0.36
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl 24,25-dihydroxypentacosanoate
CID 87511702
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
2,3-dihydroxypropyl 12-methyltridecanoate
CID 10828227
[(2S)-2,3-dihydroxypropyl] 13-methyltetradecanoate
CID 51543807
2,3-dihydroxypropyl 13-methyltetradecanoate
CID 10852911
[(2R)-2,3-dihydroxypropyl] 34-hydroxytetratriacontanoate
CID 162985486
20,21-dihydroxyhenicosanoic acid;2,3-dihydroxypropyl octadecanoate
CID 160672733
8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
CID 51136413
2,3-dihydroxypropyl (Z)-octadec-9-enoate;hexadecane-1,2-diol
CID 131713685
2,3-dihydroxypropyl 10,11-dibromoundecanoate
CID 71387928
17-(2,3-dihydroxypropoxy)-11-methyl-17-oxoheptadecanoic acid
CID 88538294
2,3-dihydroxypropyl 16-octadecyltetratriacontanoate
CID 122583425

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 10,11-dihydroxyundecanoate?
The IUPAC name of 2,3-dihydroxypropyl 10,11-dihydroxyundecanoate (CID 18431994) is 2,3-dihydroxypropyl 10,11-dihydroxyundecanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 10,11-dihydroxyundecanoate?
The canonical SMILES for 2,3-dihydroxypropyl 10,11-dihydroxyundecanoate is O=C(CCCCCCCCC(O)CO)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 10,11-dihydroxyundecanoate?
The InChIKey is NCBZJEIVHAIQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6/c15-9-12(17)7-5-3-1-2-4-6-8-14(19)20-11-13(18)10-16/h12-13,15-18H,1-11H2.
What are the key properties of 2,3-dihydroxypropyl 10,11-dihydroxyundecanoate?
2,3-dihydroxypropyl 10,11-dihydroxyundecanoate has a molecular weight of 292.37 g/mol, XLogP of 0.36, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 10,11-dihydroxyundecanoate is sourced from PubChem (CID 18431994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).