8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid

C11H20O6 — CID 51136413

IUPAC8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)OCC(O)CO
InChIInChI=1S/C11H20O6/c12-7-9(13)8-17-11(16)6-4-2-1-3-5-10(14)15/h9,12-13H,1-8H2,(H,14,15)
InChIKeyLZTCLRFNOWIKKM-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.31
Rot. Bonds10

About 8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid

8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid (PubChem CID 51136413) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
PubChem CID51136413
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)OCC(O)CO
InChIInChI=1S/C11H20O6/c12-7-9(13)8-17-11(16)6-4-2-1-3-5-10(14)15/h9,12-13H,1-8H2,(H,14,15)
InChIKeyLZTCLRFNOWIKKM-UHFFFAOYSA-N
XLogP0.31
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
2,3-dihydroxypropyl octadecanoate;tetradecanoic acid
CID 159840935
2,3-dihydroxypropyl heptanoate;bis(heptanoic acid)
CID 87090647
2,3-dihydroxypropyl tetradecanoate;bis(dodecanoic acid)
CID 159816438
decanoic acid;2,3-dihydroxypropyl hexanoate;octanoic acid
CID 87710407
2,3-dihydroxypropyl hexanoate;octanoic acid
CID 174860954
17-(2,3-dihydroxypropoxy)-11-methyl-17-oxoheptadecanoic acid
CID 88538294
bis(2,3-dihydroxypropyl) butanedioate;octanoic acid
CID 160939981
[(2R)-2,3-dihydroxypropyl] 34-hydroxytetratriacontanoate
CID 162985486
20,21-dihydroxyhenicosanoic acid;2,3-dihydroxypropyl octadecanoate
CID 160672733
2,3-dihydroxypropyl 24,25-dihydroxypentacosanoate
CID 87511702
2,3-dihydroxypropyl 10,11-dihydroxyundecanoate
CID 18431994

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid?
The IUPAC name of 8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid (CID 51136413) is 8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid.
What is the SMILES notation for 8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid?
The canonical SMILES for 8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)OCC(O)CO.
What is the InChIKey of 8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid?
The InChIKey is LZTCLRFNOWIKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c12-7-9(13)8-17-11(16)6-4-2-1-3-5-10(14)15/h9,12-13H,1-8H2,(H,14,15).
What are the key properties of 8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid?
8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid has a molecular weight of 248.27 g/mol, XLogP of 0.31, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid is sourced from PubChem (CID 51136413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).