(3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene

C15H25O3P — CID 11500170

IUPAC(3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene
SMILESC=C/C=C/CC/C=C/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C15H25O3P/c1-4-7-8-9-10-11-12-13-14-15-19(16,17-5-2)18-6-3/h4,7-8,11-14H,1,5-6,9-10,15H2,2-3H3/b8-7+,12-11+,14-13+
InChIKeyXDJQMIBUBNYFQY-OOFIKVKXSA-N
MW284.34 g/mol
LogP4.89
Rot. Bonds11

About (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene

(3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene (PubChem CID 11500170) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene
PubChem CID11500170
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name(3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene
SMILESC=C/C=C/CC/C=C/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C15H25O3P/c1-4-7-8-9-10-11-12-13-14-15-19(16,17-5-2)18-6-3/h4,7-8,11-14H,1,5-6,9-10,15H2,2-3H3/b8-7+,12-11+,14-13+
InChIKeyXDJQMIBUBNYFQY-OOFIKVKXSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene 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 (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene?
The IUPAC name of (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene (CID 11500170) is (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene.
What is the SMILES notation for (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene?
The canonical SMILES for (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene is C=C/C=C/CC/C=C/C=C/CP(=O)(OCC)OCC.
What is the InChIKey of (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene?
The InChIKey is XDJQMIBUBNYFQY-OOFIKVKXSA-N. The full InChI is InChI=1S/C15H25O3P/c1-4-7-8-9-10-11-12-13-14-15-19(16,17-5-2)18-6-3/h4,7-8,11-14H,1,5-6,9-10,15H2,2-3H3/b8-7+,12-11+,14-13+.
What are the key properties of (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene?
(3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene has a molecular weight of 284.34 g/mol, XLogP of 4.89, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene is sourced from PubChem (CID 11500170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).