(E)-11-hydroxyundec-2-enoic acid

C11H20O3 — CID 86289764

IUPAC(E)-11-hydroxyundec-2-enoic acid
SMILESO=C(O)/C=C/CCCCCCCCO
InChIInChI=1S/C11H20O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h7,9,12H,1-6,8,10H2,(H,13,14)/b9-7+
InChIKeyUHMWYQAZYGDJGM-VQHVLOKHSA-N
MW200.28 g/mol
LogP2.35
Rot. Bonds9

About (E)-11-hydroxyundec-2-enoic acid

(E)-11-hydroxyundec-2-enoic acid (PubChem CID 86289764) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-11-hydroxyundec-2-enoic acid.

Molecular Properties

Compound Name(E)-11-hydroxyundec-2-enoic acid
PubChem CID86289764
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(E)-11-hydroxyundec-2-enoic acid
SMILESO=C(O)/C=C/CCCCCCCCO
InChIInChI=1S/C11H20O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h7,9,12H,1-6,8,10H2,(H,13,14)/b9-7+
InChIKeyUHMWYQAZYGDJGM-VQHVLOKHSA-N
XLogP2.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-11-hydroxyundec-2-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 (E)-11-hydroxyundec-2-enoic acid?
The IUPAC name of (E)-11-hydroxyundec-2-enoic acid (CID 86289764) is (E)-11-hydroxyundec-2-enoic acid.
What is the SMILES notation for (E)-11-hydroxyundec-2-enoic acid?
The canonical SMILES for (E)-11-hydroxyundec-2-enoic acid is O=C(O)/C=C/CCCCCCCCO.
What is the InChIKey of (E)-11-hydroxyundec-2-enoic acid?
The InChIKey is UHMWYQAZYGDJGM-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h7,9,12H,1-6,8,10H2,(H,13,14)/b9-7+.
What are the key properties of (E)-11-hydroxyundec-2-enoic acid?
(E)-11-hydroxyundec-2-enoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-hydroxyundec-2-enoic acid is sourced from PubChem (CID 86289764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).