tricosanoic acid

C23H46O2 — CID 17085

IUPACtricosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)
InChIKeyXEZVDURJDFGERA-UHFFFAOYSA-N
MW354.62 g/mol
LogP8.28
Rot. Bonds21

About tricosanoic acid

tricosanoic acid (PubChem CID 17085) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is tricosanoic acid.

Molecular Properties

Compound Nametricosanoic acid
PubChem CID17085
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Nametricosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)
InChIKeyXEZVDURJDFGERA-UHFFFAOYSA-N
XLogP8.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tricosanoic 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 tricosanoic acid?
The IUPAC name of tricosanoic acid (CID 17085) is tricosanoic acid.
What is the SMILES notation for tricosanoic acid?
The canonical SMILES for tricosanoic acid is CCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of tricosanoic acid?
The InChIKey is XEZVDURJDFGERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25).
What are the key properties of tricosanoic acid?
tricosanoic acid has a molecular weight of 354.62 g/mol, XLogP of 8.28, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricosanoic acid is sourced from PubChem (CID 17085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).