(Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium

C18H25N4O8P+2 — CID 11826545

IUPAC(Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium
SMILESCCOP(=O)(OCC)/C([N+]#N)=C(\O)OCCOCCO/C(O)=C(\[N+]#N)c1ccccc1
InChIInChI=1S/C18H23N4O8P/c1-3-29-31(25,30-4-2)16(22-20)18(24)28-13-11-26-10-12-27-17(23)15(21-19)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3/p+2/b17-15-
InChIKeyIDKLUBHHKOWDKW-ICFOKQHNSA-P
MW456.39 g/mol
LogP4.58
Rot. Bonds14

About (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium

(Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium (PubChem CID 11826545) has the molecular formula C18H25N4O8P+2 and a molecular weight of 456.39 g/mol. Its IUPAC name is (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium.

Molecular Properties

Compound Name(Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium
PubChem CID11826545
Molecular FormulaC18H25N4O8P+2
Molecular Weight456.39 g/mol
Exact Mass456.14
IUPAC Name(Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium
SMILESCCOP(=O)(OCC)/C([N+]#N)=C(\O)OCCOCCO/C(O)=C(\[N+]#N)c1ccccc1
InChIInChI=1S/C18H23N4O8P/c1-3-29-31(25,30-4-2)16(22-20)18(24)28-13-11-26-10-12-27-17(23)15(21-19)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3/p+2/b17-15-
InChIKeyIDKLUBHHKOWDKW-ICFOKQHNSA-P
XLogP4.58
TPSA159.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.39
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium with MolForge

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Related Compounds

(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol
CID 134873610
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
(E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium
CID 11448041
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
(1Z,3Z)-1-dimethoxyphosphoryl-2-hydroxy-4-methoxy-4-phenylbuta-1,3-diene-1-diazonium
CID 11045102
2-diethoxyphosphorylprop-2-enoxymethylbenzene
CID 11129808
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium?
The IUPAC name of (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium (CID 11826545) is (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium.
What is the SMILES notation for (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium?
The canonical SMILES for (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium is CCOP(=O)(OCC)/C([N+]#N)=C(\O)OCCOCCO/C(O)=C(\[N+]#N)c1ccccc1.
What is the InChIKey of (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium?
The InChIKey is IDKLUBHHKOWDKW-ICFOKQHNSA-P. The full InChI is InChI=1S/C18H23N4O8P/c1-3-29-31(25,30-4-2)16(22-20)18(24)28-13-11-26-10-12-27-17(23)15(21-19)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3/p+2/b17-15-.
What are the key properties of (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium?
(Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium has a molecular weight of 456.39 g/mol, XLogP of 4.58, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium is sourced from PubChem (CID 11826545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).