[diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium

C7H17O5P2+ — CID 173180122

IUPAC[diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium
SMILESCCOC([PH+]=O)P(=O)(OCC)OCC
InChIInChI=1S/C7H16O5P2/c1-4-10-7(13-8)14(9,11-5-2)12-6-3/h7H,4-6H2,1-3H3/p+1
InChIKeyUBZIRIBFFYESBB-UHFFFAOYSA-O
MW243.16 g/mol
LogP2.60
Rot. Bonds8

About [diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium

[diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium (PubChem CID 173180122) has the molecular formula C7H17O5P2+ and a molecular weight of 243.16 g/mol. Its IUPAC name is [diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium.

Molecular Properties

Compound Name[diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium
PubChem CID173180122
Molecular FormulaC7H17O5P2+
Molecular Weight243.16 g/mol
Exact Mass243.05
IUPAC Name[diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium
SMILESCCOC([PH+]=O)P(=O)(OCC)OCC
InChIInChI=1S/C7H16O5P2/c1-4-10-7(13-8)14(9,11-5-2)12-6-3/h7H,4-6H2,1-3H3/p+1
InChIKeyUBZIRIBFFYESBB-UHFFFAOYSA-O
XLogP2.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphorylbutane
CID 2733649
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
1-diethoxyphosphorylethanamine
CID 5149858
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
1-deuterio-3-diethoxyphosphorylbutane
CID 58697726
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane
CID 131851562
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299

Frequently Asked Questions

What is the IUPAC name of [diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium?
The IUPAC name of [diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium (CID 173180122) is [diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium.
What is the SMILES notation for [diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium?
The canonical SMILES for [diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium is CCOC([PH+]=O)P(=O)(OCC)OCC.
What is the InChIKey of [diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium?
The InChIKey is UBZIRIBFFYESBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16O5P2/c1-4-10-7(13-8)14(9,11-5-2)12-6-3/h7H,4-6H2,1-3H3/p+1.
What are the key properties of [diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium?
[diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium has a molecular weight of 243.16 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium is sourced from PubChem (CID 173180122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).