3-hydroxyicos-11-enoic acid

C20H38O3 — CID 170920735

IUPAC3-hydroxyicos-11-enoic acid
SMILESCCCCCCCCC=CCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h9-10,19,21H,2-8,11-18H2,1H3,(H,22,23)
InChIKeySBPXXWBTOQUFGY-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.86
Rot. Bonds17

About 3-hydroxyicos-11-enoic acid

3-hydroxyicos-11-enoic acid (PubChem CID 170920735) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 3-hydroxyicos-11-enoic acid.

Molecular Properties

Compound Name3-hydroxyicos-11-enoic acid
PubChem CID170920735
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name3-hydroxyicos-11-enoic acid
SMILESCCCCCCCCC=CCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h9-10,19,21H,2-8,11-18H2,1H3,(H,22,23)
InChIKeySBPXXWBTOQUFGY-UHFFFAOYSA-N
XLogP5.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxyicos-11-enoic 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 3-hydroxyicos-11-enoic acid?
The IUPAC name of 3-hydroxyicos-11-enoic acid (CID 170920735) is 3-hydroxyicos-11-enoic acid.
What is the SMILES notation for 3-hydroxyicos-11-enoic acid?
The canonical SMILES for 3-hydroxyicos-11-enoic acid is CCCCCCCCC=CCCCCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxyicos-11-enoic acid?
The InChIKey is SBPXXWBTOQUFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h9-10,19,21H,2-8,11-18H2,1H3,(H,22,23).
What are the key properties of 3-hydroxyicos-11-enoic acid?
3-hydroxyicos-11-enoic acid has a molecular weight of 326.52 g/mol, XLogP of 5.86, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyicos-11-enoic acid is sourced from PubChem (CID 170920735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).