[(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene

C19H24N2O4P2 — CID 135078878

IUPAC[(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene
SMILESCCOP(=O)(/C=C(C)/N=N/P(=O)(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C19H24N2O4P2/c1-4-24-26(22,25-5-2)16-17(3)20-21-27(23,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16H,4-5H2,1-3H3/b17-16+,21-20+
InChIKeyFXZOWMGNTUOWQQ-HIASSRJUSA-N
MW406.36 g/mol
LogP5.50
Rot. Bonds9

About [(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene

[(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene (PubChem CID 135078878) has the molecular formula C19H24N2O4P2 and a molecular weight of 406.36 g/mol. Its IUPAC name is [(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene.

Molecular Properties

Compound Name[(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene
PubChem CID135078878
Molecular FormulaC19H24N2O4P2
Molecular Weight406.36 g/mol
Exact Mass406.12
IUPAC Name[(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene
SMILESCCOP(=O)(/C=C(C)/N=N/P(=O)(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C19H24N2O4P2/c1-4-24-26(22,25-5-2)16-17(3)20-21-27(23,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16H,4-5H2,1-3H3/b17-16+,21-20+
InChIKeyFXZOWMGNTUOWQQ-HIASSRJUSA-N
XLogP5.50
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.36
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane
CID 10048153
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
(E)-N,1-bis(diphenylphosphoryl)propan-2-imine
CID 10813717
[(Z)-3-chloro-1-diethoxyphosphoryl-4-methylpent-1-en-2-yl]selanylbenzene
CID 46177701
[(E,3E)-3-(diethoxyphosphorylmethylidene)hept-1-enyl]benzene
CID 134934285
3-(diethoxyphosphorylmethylidene)pentoxymethylbenzene
CID 11526775
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563

Frequently Asked Questions

What is the IUPAC name of [(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene?
The IUPAC name of [(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene (CID 135078878) is [(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene.
What is the SMILES notation for [(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene?
The canonical SMILES for [(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene is CCOP(=O)(/C=C(C)/N=N/P(=O)(c1ccccc1)c1ccccc1)OCC.
What is the InChIKey of [(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene?
The InChIKey is FXZOWMGNTUOWQQ-HIASSRJUSA-N. The full InChI is InChI=1S/C19H24N2O4P2/c1-4-24-26(22,25-5-2)16-17(3)20-21-27(23,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16H,4-5H2,1-3H3/b17-16+,21-20+.
What are the key properties of [(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene?
[(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene has a molecular weight of 406.36 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-diethoxyphosphorylprop-1-en-2-yl]-diphenylphosphoryldiazene is sourced from PubChem (CID 135078878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).