(E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid

C18H18O3 — CID 170990154

IUPAC(E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid
SMILESC#CC#CC#CC#C/C=C/CCCCCC(O)CC(=O)O
InChIInChI=1S/C18H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h1,9-10,17,19H,11-16H2,(H,20,21)/b10-9+
InChIKeyOWJLXANXXIWKOO-MDZDMXLPSA-N
MW282.34 g/mol
LogP1.97
Rot. Bonds8

About (E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid

(E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid (PubChem CID 170990154) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid.

Molecular Properties

Compound Name(E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid
PubChem CID170990154
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid
SMILESC#CC#CC#CC#C/C=C/CCCCCC(O)CC(=O)O
InChIInChI=1S/C18H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h1,9-10,17,19H,11-16H2,(H,20,21)/b10-9+
InChIKeyOWJLXANXXIWKOO-MDZDMXLPSA-N
XLogP1.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic 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)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid?
The IUPAC name of (E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid (CID 170990154) is (E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid.
What is the SMILES notation for (E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid?
The canonical SMILES for (E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid is C#CC#CC#CC#C/C=C/CCCCCC(O)CC(=O)O.
What is the InChIKey of (E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid?
The InChIKey is OWJLXANXXIWKOO-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h1,9-10,17,19H,11-16H2,(H,20,21)/b10-9+.
What are the key properties of (E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid?
(E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxyoctadec-9-en-11,13,15,17-tetraynoic acid is sourced from PubChem (CID 170990154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).