19-hydroxyicosanoic acid

C20H40O3 — CID 14535566

IUPAC19-hydroxyicosanoic acid
SMILESCC(O)CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H40O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
InChIKeyNRYRXKPIZDFLGD-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.08
Rot. Bonds18

About 19-hydroxyicosanoic acid

19-hydroxyicosanoic acid (PubChem CID 14535566) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 19-hydroxyicosanoic acid.

Molecular Properties

Compound Name19-hydroxyicosanoic acid
PubChem CID14535566
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name19-hydroxyicosanoic acid
SMILESCC(O)CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H40O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
InChIKeyNRYRXKPIZDFLGD-UHFFFAOYSA-N
XLogP6.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

20-hydroxyhenicosanoic acid
CID 19591814
hexanedioic acid;hexane-2,5-diol
CID 160536258
bis(hexanedioic acid);hexane-1,5-diol
CID 159262275
(8S,12R)-8-acetyl-12-hydroxytridecanoic acid
CID 129396183
bis(heptanoic acid);hexane-1,5-diol
CID 87588031
19-methylheptatriacontanedioic acid
CID 141009772
16-methylheptadecanoic acid
CID 87200881
11-hydroxy-3-oxododecanoic acid
CID 644255
(10R,11R)-10,11-dihydroxydodecanoic acid
CID 91394357
ethane-1,1-diol;hexanedioic acid
CID 160553867
11-hydroxydodec-6-enoic acid
CID 123616769
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842

Frequently Asked Questions

What is the IUPAC name of 19-hydroxyicosanoic acid?
The IUPAC name of 19-hydroxyicosanoic acid (CID 14535566) is 19-hydroxyicosanoic acid.
What is the SMILES notation for 19-hydroxyicosanoic acid?
The canonical SMILES for 19-hydroxyicosanoic acid is CC(O)CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 19-hydroxyicosanoic acid?
The InChIKey is NRYRXKPIZDFLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23).
What are the key properties of 19-hydroxyicosanoic acid?
19-hydroxyicosanoic acid has a molecular weight of 328.54 g/mol, XLogP of 6.08, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-hydroxyicosanoic acid is sourced from PubChem (CID 14535566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).