(2E,4E)-1-diethoxyphosphorylnona-2,4-diene

C13H25O3P — CID 11043502

IUPAC(2E,4E)-1-diethoxyphosphorylnona-2,4-diene
SMILESCCCC/C=C/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C13H25O3P/c1-4-7-8-9-10-11-12-13-17(14,15-5-2)16-6-3/h9-12H,4-8,13H2,1-3H3/b10-9+,12-11+
InChIKeyKAKGRPXFEPZSGQ-HULFFUFUSA-N
MW260.31 g/mol
LogP4.56
Rot. Bonds10

About (2E,4E)-1-diethoxyphosphorylnona-2,4-diene

(2E,4E)-1-diethoxyphosphorylnona-2,4-diene (PubChem CID 11043502) has the molecular formula C13H25O3P and a molecular weight of 260.31 g/mol. Its IUPAC name is (2E,4E)-1-diethoxyphosphorylnona-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-diethoxyphosphorylnona-2,4-diene
PubChem CID11043502
Molecular FormulaC13H25O3P
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name(2E,4E)-1-diethoxyphosphorylnona-2,4-diene
SMILESCCCC/C=C/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C13H25O3P/c1-4-7-8-9-10-11-12-13-17(14,15-5-2)16-6-3/h9-12H,4-8,13H2,1-3H3/b10-9+,12-11+
InChIKeyKAKGRPXFEPZSGQ-HULFFUFUSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.56
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'}

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Related Compounds

(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
4-Diethoxyphosphorylcyclohexene
CID 85519806
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhept-1-ene
CID 85795853
6-Diethoxyphosphorylhex-1-ene
CID 10466042
1-Diethoxyphosphorylcyclohexene
CID 10560750
Diethoxyphosphorylcyclopentene
CID 10774533

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-diethoxyphosphorylnona-2,4-diene?
The IUPAC name of (2E,4E)-1-diethoxyphosphorylnona-2,4-diene (CID 11043502) is (2E,4E)-1-diethoxyphosphorylnona-2,4-diene.
What is the SMILES notation for (2E,4E)-1-diethoxyphosphorylnona-2,4-diene?
The canonical SMILES for (2E,4E)-1-diethoxyphosphorylnona-2,4-diene is CCCC/C=C/C=C/CP(=O)(OCC)OCC.
What is the InChIKey of (2E,4E)-1-diethoxyphosphorylnona-2,4-diene?
The InChIKey is KAKGRPXFEPZSGQ-HULFFUFUSA-N. The full InChI is InChI=1S/C13H25O3P/c1-4-7-8-9-10-11-12-13-17(14,15-5-2)16-6-3/h9-12H,4-8,13H2,1-3H3/b10-9+,12-11+.
What are the key properties of (2E,4E)-1-diethoxyphosphorylnona-2,4-diene?
(2E,4E)-1-diethoxyphosphorylnona-2,4-diene has a molecular weight of 260.31 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-diethoxyphosphorylnona-2,4-diene is sourced from PubChem (CID 11043502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).