5-diethoxyphosphorylnona-3,4-diene

C13H25O3P — CID 46177616

IUPAC5-diethoxyphosphorylnona-3,4-diene
SMILESCCC=C=C(CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C13H25O3P/c1-5-9-11-13(12-10-6-2)17(14,15-7-3)16-8-4/h9H,5-8,10,12H2,1-4H3
InChIKeyACSCQIDZTXYXCC-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.89
Rot. Bonds9

About 5-diethoxyphosphorylnona-3,4-diene

5-diethoxyphosphorylnona-3,4-diene (PubChem CID 46177616) has the molecular formula C13H25O3P and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-diethoxyphosphorylnona-3,4-diene.

Molecular Properties

Compound Name5-diethoxyphosphorylnona-3,4-diene
PubChem CID46177616
Molecular FormulaC13H25O3P
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name5-diethoxyphosphorylnona-3,4-diene
SMILESCCC=C=C(CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C13H25O3P/c1-5-9-11-13(12-10-6-2)17(14,15-7-3)16-8-4/h9H,5-8,10,12H2,1-4H3
InChIKeyACSCQIDZTXYXCC-UHFFFAOYSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphorylnona-3,4-diene?
The IUPAC name of 5-diethoxyphosphorylnona-3,4-diene (CID 46177616) is 5-diethoxyphosphorylnona-3,4-diene.
What is the SMILES notation for 5-diethoxyphosphorylnona-3,4-diene?
The canonical SMILES for 5-diethoxyphosphorylnona-3,4-diene is CCC=C=C(CCCC)P(=O)(OCC)OCC.
What is the InChIKey of 5-diethoxyphosphorylnona-3,4-diene?
The InChIKey is ACSCQIDZTXYXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O3P/c1-5-9-11-13(12-10-6-2)17(14,15-7-3)16-8-4/h9H,5-8,10,12H2,1-4H3.
What are the key properties of 5-diethoxyphosphorylnona-3,4-diene?
5-diethoxyphosphorylnona-3,4-diene has a molecular weight of 260.31 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphorylnona-3,4-diene is sourced from PubChem (CID 46177616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).