1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene

C15H27O3P — CID 71350134

IUPAC1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
SMILESCCOP(=O)(C=CC=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
InChIKeyCGALDTJFFJGXSW-UHFFFAOYSA-N
MW286.35 g/mol
LogP5.46
Rot. Bonds9

About 1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene

1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene (PubChem CID 71350134) has the molecular formula C15H27O3P and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
PubChem CID71350134
Molecular FormulaC15H27O3P
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Name1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
SMILESCCOP(=O)(C=CC=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
InChIKeyCGALDTJFFJGXSW-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene?
The IUPAC name of 1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene (CID 71350134) is 1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene.
What is the SMILES notation for 1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene?
The canonical SMILES for 1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene is CCOP(=O)(C=CC=C(C)CCC=C(C)C)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene?
The InChIKey is CGALDTJFFJGXSW-UHFFFAOYSA-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.
What are the key properties of 1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene?
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 1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene is sourced from PubChem (CID 71350134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).