(6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene

C15H29O3P — CID 11335218

IUPAC(6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene
SMILESCCOP(=O)(CC/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C15H29O3P/c1-6-17-19(16,18-7-2)13-9-12-15(5)11-8-10-14(3)4/h10,12H,6-9,11,13H2,1-5H3/b15-12+
InChIKeyPVWKKGGOPYHALN-NTCAYCPXSA-N
MW288.37 g/mol
LogP5.34
Rot. Bonds10

About (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene

(6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene (PubChem CID 11335218) has the molecular formula C15H29O3P and a molecular weight of 288.37 g/mol. Its IUPAC name is (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene
PubChem CID11335218
Molecular FormulaC15H29O3P
Molecular Weight288.37 g/mol
Exact Mass288.19
IUPAC Name(6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene
SMILESCCOP(=O)(CC/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C15H29O3P/c1-6-17-19(16,18-7-2)13-9-12-15(5)11-8-10-14(3)4/h10,12H,6-9,11,13H2,1-5H3/b15-12+
InChIKeyPVWKKGGOPYHALN-NTCAYCPXSA-N
XLogP5.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 55.34
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'}

Analyze (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane
CID 21197638
(6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene
CID 139611461
(6E)-9,9,9-tris(diethoxyphosphoryl)-2,6-dimethylnona-2,6-diene
CID 56651473
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate
CID 122511254
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;3,7,11-trimethyldodeca-2,6,10-trienyl dihydrogen phosphate
CID 174760400
[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate
CID 11388871
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
CID 10357552
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
ethyl 2-(diethoxyphosphorylmethyl)-3-oxo-3-[[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]propanoate
CID 10458623
[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] phosphate
CID 146014787
disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
CID 11791843

Frequently Asked Questions

What is the IUPAC name of (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene?
The IUPAC name of (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene (CID 11335218) is (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene?
The canonical SMILES for (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene is CCOP(=O)(CC/C=C(\C)CCC=C(C)C)OCC.
What is the InChIKey of (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene?
The InChIKey is PVWKKGGOPYHALN-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H29O3P/c1-6-17-19(16,18-7-2)13-9-12-15(5)11-8-10-14(3)4/h10,12H,6-9,11,13H2,1-5H3/b15-12+.
What are the key properties of (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene?
(6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene has a molecular weight of 288.37 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene is sourced from PubChem (CID 11335218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).