11-hydroxydocosanoic acid

C22H44O3 — CID 86066603

IUPAC11-hydroxydocosanoic acid
SMILESCCCCCCCCCCCC(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O3/c1-2-3-4-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
InChIKeyKISVUGUWQYLZAN-UHFFFAOYSA-N
MW356.59 g/mol
LogP6.86
Rot. Bonds20

About 11-hydroxydocosanoic acid

11-hydroxydocosanoic acid (PubChem CID 86066603) has the molecular formula C22H44O3 and a molecular weight of 356.59 g/mol. Its IUPAC name is 11-hydroxydocosanoic acid.

Molecular Properties

Compound Name11-hydroxydocosanoic acid
PubChem CID86066603
Molecular FormulaC22H44O3
Molecular Weight356.59 g/mol
Exact Mass356.33
IUPAC Name11-hydroxydocosanoic acid
SMILESCCCCCCCCCCCC(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O3/c1-2-3-4-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
InChIKeyKISVUGUWQYLZAN-UHFFFAOYSA-N
XLogP6.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 56.86
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

21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
(8S)-8-hydroxytetradecanoic acid
CID 123133458
(7S)-7-hydroxyoctadecanoic acid
CID 162672751
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392
20-hydroxyheptacosanoic acid
CID 169277503

Frequently Asked Questions

What is the IUPAC name of 11-hydroxydocosanoic acid?
The IUPAC name of 11-hydroxydocosanoic acid (CID 86066603) is 11-hydroxydocosanoic acid.
What is the SMILES notation for 11-hydroxydocosanoic acid?
The canonical SMILES for 11-hydroxydocosanoic acid is CCCCCCCCCCCC(O)CCCCCCCCCC(=O)O.
What is the InChIKey of 11-hydroxydocosanoic acid?
The InChIKey is KISVUGUWQYLZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O3/c1-2-3-4-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25).
What are the key properties of 11-hydroxydocosanoic acid?
11-hydroxydocosanoic acid has a molecular weight of 356.59 g/mol, XLogP of 6.86, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxydocosanoic acid is sourced from PubChem (CID 86066603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).