20-hydroxyoctacosanoic acid

C28H56O3 — CID 169277392

IUPAC20-hydroxyoctacosanoic acid
SMILESCCCCCCCCC(O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C28H56O3/c1-2-3-4-5-18-21-24-27(29)25-22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-26-28(30)31/h27,29H,2-26H2,1H3,(H,30,31)
InChIKeyCQHDUNHHUDNCDX-UHFFFAOYSA-N
MW440.75 g/mol
LogP9.20
Rot. Bonds26

About 20-hydroxyoctacosanoic acid

20-hydroxyoctacosanoic acid (PubChem CID 169277392) has the molecular formula C28H56O3 and a molecular weight of 440.75 g/mol. Its IUPAC name is 20-hydroxyoctacosanoic acid.

Molecular Properties

Compound Name20-hydroxyoctacosanoic acid
PubChem CID169277392
Molecular FormulaC28H56O3
Molecular Weight440.75 g/mol
Exact Mass440.42
IUPAC Name20-hydroxyoctacosanoic acid
SMILESCCCCCCCCC(O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C28H56O3/c1-2-3-4-5-18-21-24-27(29)25-22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-26-28(30)31/h27,29H,2-26H2,1H3,(H,30,31)
InChIKeyCQHDUNHHUDNCDX-UHFFFAOYSA-N
XLogP9.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.75
LogP ≤ 59.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 20-hydroxyoctacosanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458
(7S)-7-hydroxyoctadecanoic acid
CID 162672751
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyheptacosanoic acid
CID 169277503

Frequently Asked Questions

What is the IUPAC name of 20-hydroxyoctacosanoic acid?
The IUPAC name of 20-hydroxyoctacosanoic acid (CID 169277392) is 20-hydroxyoctacosanoic acid.
What is the SMILES notation for 20-hydroxyoctacosanoic acid?
The canonical SMILES for 20-hydroxyoctacosanoic acid is CCCCCCCCC(O)CCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 20-hydroxyoctacosanoic acid?
The InChIKey is CQHDUNHHUDNCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O3/c1-2-3-4-5-18-21-24-27(29)25-22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-26-28(30)31/h27,29H,2-26H2,1H3,(H,30,31).
What are the key properties of 20-hydroxyoctacosanoic acid?
20-hydroxyoctacosanoic acid has a molecular weight of 440.75 g/mol, XLogP of 9.20, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-hydroxyoctacosanoic acid is sourced from PubChem (CID 169277392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).