(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene

C15H27O3P — CID 11266150

IUPAC(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
SMILESCCOP(=O)(/C=C/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C15H27O3P/c1-6-17-19(16,18-7-2)13-9-12-15(5)11-8-10-14(3)4/h9-10,12-13H,6-8,11H2,1-5H3/b13-9+,15-12+
InChIKeyCGALDTJFFJGXSW-OGGMOHOESA-N
MW286.35 g/mol
LogP5.46
Rot. Bonds9

About (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene

(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene (PubChem CID 11266150) has the molecular formula C15H27O3P and a molecular weight of 286.35 g/mol. Its IUPAC name is (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene.

Molecular Properties

Compound Name(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
PubChem CID11266150
Molecular FormulaC15H27O3P
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Name(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
SMILESCCOP(=O)(/C=C/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C15H27O3P/c1-6-17-19(16,18-7-2)13-9-12-15(5)11-8-10-14(3)4/h9-10,12-13H,6-8,11H2,1-5H3/b13-9+,15-12+
InChIKeyCGALDTJFFJGXSW-OGGMOHOESA-N
XLogP5.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.35
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene 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 (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene?
The IUPAC name of (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene (CID 11266150) is (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene.
What is the SMILES notation for (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene?
The canonical SMILES for (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene is CCOP(=O)(/C=C/C=C(\C)CCC=C(C)C)OCC.
What is the InChIKey of (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene?
The InChIKey is CGALDTJFFJGXSW-OGGMOHOESA-N. The full InChI is InChI=1S/C15H27O3P/c1-6-17-19(16,18-7-2)13-9-12-15(5)11-8-10-14(3)4/h9-10,12-13H,6-8,11H2,1-5H3/b13-9+,15-12+.
What are the key properties of (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene?
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene has a molecular weight of 286.35 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene is sourced from PubChem (CID 11266150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).