9-hydroxyhexacosanoic acid

C26H52O3 — CID 169277002

IUPAC9-hydroxyhexacosanoic acid
SMILESCCCCCCCCCCCCCCCCCC(O)CCCCCCCC(=O)O
InChIInChI=1S/C26H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25(27)23-20-17-15-18-21-24-26(28)29/h25,27H,2-24H2,1H3,(H,28,29)
InChIKeyUTAVPUZURYSXRI-UHFFFAOYSA-N
MW412.70 g/mol
LogP8.42
Rot. Bonds24

About 9-hydroxyhexacosanoic acid

9-hydroxyhexacosanoic acid (PubChem CID 169277002) has the molecular formula C26H52O3 and a molecular weight of 412.70 g/mol. Its IUPAC name is 9-hydroxyhexacosanoic acid.

Molecular Properties

Compound Name9-hydroxyhexacosanoic acid
PubChem CID169277002
Molecular FormulaC26H52O3
Molecular Weight412.70 g/mol
Exact Mass412.39
IUPAC Name9-hydroxyhexacosanoic acid
SMILESCCCCCCCCCCCCCCCCCC(O)CCCCCCCC(=O)O
InChIInChI=1S/C26H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25(27)23-20-17-15-18-21-24-26(28)29/h25,27H,2-24H2,1H3,(H,28,29)
InChIKeyUTAVPUZURYSXRI-UHFFFAOYSA-N
XLogP8.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.70
LogP ≤ 58.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-hydroxyhexacosanoic 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-hydroxyoctacosanoic acid
CID 169277392

Frequently Asked Questions

What is the IUPAC name of 9-hydroxyhexacosanoic acid?
The IUPAC name of 9-hydroxyhexacosanoic acid (CID 169277002) is 9-hydroxyhexacosanoic acid.
What is the SMILES notation for 9-hydroxyhexacosanoic acid?
The canonical SMILES for 9-hydroxyhexacosanoic acid is CCCCCCCCCCCCCCCCCC(O)CCCCCCCC(=O)O.
What is the InChIKey of 9-hydroxyhexacosanoic acid?
The InChIKey is UTAVPUZURYSXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25(27)23-20-17-15-18-21-24-26(28)29/h25,27H,2-24H2,1H3,(H,28,29).
What are the key properties of 9-hydroxyhexacosanoic acid?
9-hydroxyhexacosanoic acid has a molecular weight of 412.70 g/mol, XLogP of 8.42, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxyhexacosanoic acid is sourced from PubChem (CID 169277002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).