[diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate

C9H23NO5P2 — CID 11227

IUPAC[diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate
SMILESCCOP(OCC)[N+](CC)(CC)P(=O)([O-])OC
InChIInChI=1S/C9H23NO5P2/c1-6-10(7-2,17(11,12)13-5)16(14-8-3)15-9-4/h6-9H2,1-5H3
InChIKeyZQMSSVRFIFUJMZ-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.26
Rot. Bonds9

About [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate

[diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate (PubChem CID 11227) has the molecular formula C9H23NO5P2 and a molecular weight of 287.23 g/mol. Its IUPAC name is [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate.

Molecular Properties

Compound Name[diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate
PubChem CID11227
Molecular FormulaC9H23NO5P2
Molecular Weight287.23 g/mol
Exact Mass287.11
IUPAC Name[diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate
SMILESCCOP(OCC)[N+](CC)(CC)P(=O)([O-])OC
InChIInChI=1S/C9H23NO5P2/c1-6-10(7-2,17(11,12)13-5)16(14-8-3)15-9-4/h6-9H2,1-5H3
InChIKeyZQMSSVRFIFUJMZ-UHFFFAOYSA-N
XLogP2.26
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate?
The IUPAC name of [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate (CID 11227) is [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate.
What is the SMILES notation for [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate?
The canonical SMILES for [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate is CCOP(OCC)[N+](CC)(CC)P(=O)([O-])OC.
What is the InChIKey of [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate?
The InChIKey is ZQMSSVRFIFUJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO5P2/c1-6-10(7-2,17(11,12)13-5)16(14-8-3)15-9-4/h6-9H2,1-5H3.
What are the key properties of [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate?
[diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate has a molecular weight of 287.23 g/mol, XLogP of 2.26, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate is sourced from PubChem (CID 11227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).