5-hydroxyoctadecanoic acid

C18H36O3 — CID 5282909

IUPAC5-hydroxyoctadecanoic acid
SMILESCCCCCCCCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyYTITYUDOZJUZBE-UHFFFAOYSA-N
MW300.48 g/mol
LogP5.30
Rot. Bonds16

About 5-hydroxyoctadecanoic acid

5-hydroxyoctadecanoic acid (PubChem CID 5282909) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 5-hydroxyoctadecanoic acid.

Molecular Properties

Compound Name5-hydroxyoctadecanoic acid
PubChem CID5282909
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name5-hydroxyoctadecanoic acid
SMILESCCCCCCCCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyYTITYUDOZJUZBE-UHFFFAOYSA-N
XLogP5.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hydroxyoctadecanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyoctadecanoic acid?
The IUPAC name of 5-hydroxyoctadecanoic acid (CID 5282909) is 5-hydroxyoctadecanoic acid.
What is the SMILES notation for 5-hydroxyoctadecanoic acid?
The canonical SMILES for 5-hydroxyoctadecanoic acid is CCCCCCCCCCCCCC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxyoctadecanoic acid?
The InChIKey is YTITYUDOZJUZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21).
What are the key properties of 5-hydroxyoctadecanoic acid?
5-hydroxyoctadecanoic acid has a molecular weight of 300.48 g/mol, XLogP of 5.30, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyoctadecanoic acid is sourced from PubChem (CID 5282909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).