2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

C11H30N2O6PSi+ — CID 59350055

IUPAC2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
SMILESCO[Si](C)(CNCCOP(=O)(O)OCC[N+](C)(C)C)OC
InChIInChI=1S/C11H29N2O6PSi/c1-13(2,3)8-10-19-20(14,15)18-9-7-12-11-21(6,16-4)17-5/h12H,7-11H2,1-6H3/p+1
InChIKeyYXKVSRFODQHSEA-UHFFFAOYSA-O
MW345.43 g/mol
LogP0.32
Rot. Bonds12

About 2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium (PubChem CID 59350055) has the molecular formula C11H30N2O6PSi+ and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
PubChem CID59350055
Molecular FormulaC11H30N2O6PSi+
Molecular Weight345.43 g/mol
Exact Mass345.16
IUPAC Name2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
SMILESCO[Si](C)(CNCCOP(=O)(O)OCC[N+](C)(C)C)OC
InChIInChI=1S/C11H29N2O6PSi/c1-13(2,3)8-10-19-20(14,15)18-9-7-12-11-21(6,16-4)17-5/h12H,7-11H2,1-6H3/p+1
InChIKeyYXKVSRFODQHSEA-UHFFFAOYSA-O
XLogP0.32
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium
CID 11646761
2-[2-(hexadecylamino)ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 13282780
2-[hydroxy-[2-[3-(trimethoxy-λ4-sulfanyl)propylamino]ethoxy]phosphoryl]oxyethyl-trimethylazanium
CID 148844921
2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 46830550
ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850
2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-trimethylazanium
CID 13292816
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858
2-[but-3-ynoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 175231665
2-[hydroxy(11-sulfanylundecoxy)phosphoryl]oxyethyl-trimethylazanium
CID 100986698
2-[(3-formyloxy-2-oxopropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 90801438
2-[hydroxy(2-methylprop-1-enoxy)phosphoryl]oxyethyl-trimethylazanium
CID 175214536
2-[hydroxy(2-prop-2-enoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 22568162

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium (CID 59350055) is 2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium is CO[Si](C)(CNCCOP(=O)(O)OCC[N+](C)(C)C)OC.
What is the InChIKey of 2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium?
The InChIKey is YXKVSRFODQHSEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H29N2O6PSi/c1-13(2,3)8-10-19-20(14,15)18-9-7-12-11-21(6,16-4)17-5/h12H,7-11H2,1-6H3/p+1.
What are the key properties of 2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium?
2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium has a molecular weight of 345.43 g/mol, XLogP of 0.32, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 59350055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).