bis(diethoxyphosphoryl)methanimine

C9H21NO6P2 — CID 87803281

IUPACbis(diethoxyphosphoryl)methanimine
SMILES[H]N=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C9H21NO6P2/c1-5-13-17(11,14-6-2)9(10)18(12,15-7-3)16-8-4/h10H,5-8H2,1-4H3
InChIKeyIBIDLXOUQHRCSA-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.45
Rot. Bonds10

About bis(diethoxyphosphoryl)methanimine

bis(diethoxyphosphoryl)methanimine (PubChem CID 87803281) has the molecular formula C9H21NO6P2 and a molecular weight of 301.22 g/mol. Its IUPAC name is bis(diethoxyphosphoryl)methanimine.

Molecular Properties

Compound Namebis(diethoxyphosphoryl)methanimine
PubChem CID87803281
Molecular FormulaC9H21NO6P2
Molecular Weight301.22 g/mol
Exact Mass301.08
IUPAC Namebis(diethoxyphosphoryl)methanimine
SMILES[H]N=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C9H21NO6P2/c1-5-13-17(11,14-6-2)9(10)18(12,15-7-3)16-8-4/h10H,5-8H2,1-4H3
InChIKeyIBIDLXOUQHRCSA-UHFFFAOYSA-N
XLogP3.45
TPSA94.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
1-chloro-1-diethoxyphosphorylethene
CID 11481045
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
2-diethoxyphosphorylprop-2-enal
CID 10888762
2-diethoxyphosphorylpent-1-ene
CID 11844671
diethyl hydrogen phosphate;scandium
CID 54607585
CID 54611578
CID 54611578
alumane;ethyl dihydrogen phosphate
CID 173113989
diethyl hydrogen phosphate;phosphoric acid
CID 87753541

Frequently Asked Questions

What is the IUPAC name of bis(diethoxyphosphoryl)methanimine?
The IUPAC name of bis(diethoxyphosphoryl)methanimine (CID 87803281) is bis(diethoxyphosphoryl)methanimine.
What is the SMILES notation for bis(diethoxyphosphoryl)methanimine?
The canonical SMILES for bis(diethoxyphosphoryl)methanimine is [H]N=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of bis(diethoxyphosphoryl)methanimine?
The InChIKey is IBIDLXOUQHRCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO6P2/c1-5-13-17(11,14-6-2)9(10)18(12,15-7-3)16-8-4/h10H,5-8H2,1-4H3.
What are the key properties of bis(diethoxyphosphoryl)methanimine?
bis(diethoxyphosphoryl)methanimine has a molecular weight of 301.22 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethoxyphosphoryl)methanimine is sourced from PubChem (CID 87803281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).