2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium

C13H34N2O7PSi+ — CID 11646761

IUPAC2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium
SMILESCO[Si](CCCNCCOP(=O)(O)OCC[N+](C)(C)C)(OC)OC
InChIInChI=1S/C13H33N2O7PSi/c1-15(2,3)10-12-22-23(16,17)21-11-9-14-8-7-13-24(18-4,19-5)20-6/h14H,7-13H2,1-6H3/p+1
InChIKeyJLFHOMSHCMVSCT-UHFFFAOYSA-O
MW389.48 g/mol
LogP0.68
Rot. Bonds15

About 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium (PubChem CID 11646761) has the molecular formula C13H34N2O7PSi+ and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium
PubChem CID11646761
Molecular FormulaC13H34N2O7PSi+
Molecular Weight389.48 g/mol
Exact Mass389.19
IUPAC Name2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium
SMILESCO[Si](CCCNCCOP(=O)(O)OCC[N+](C)(C)C)(OC)OC
InChIInChI=1S/C13H33N2O7PSi/c1-15(2,3)10-12-22-23(16,17)21-11-9-14-8-7-13-24(18-4,19-5)20-6/h14H,7-13H2,1-6H3/p+1
InChIKeyJLFHOMSHCMVSCT-UHFFFAOYSA-O
XLogP0.68
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(hexadecylamino)ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 13282780
2-[hydroxy-[2-[3-(trimethoxy-λ4-sulfanyl)propylamino]ethoxy]phosphoryl]oxyethyl-trimethylazanium
CID 148844921
2-[2-[[dimethoxy(methyl)silyl]methylamino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 59350055
2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 46830550
ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850
[2-oxo-2-(3-trimethoxysilylpropoxy)ethyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 11697048
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
2-[hydroxy(11-sulfanylundecoxy)phosphoryl]oxyethyl-trimethylazanium
CID 100986698
2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-trimethylazanium
CID 13292816
2-[hydroxy-[2-methoxy-3-(pentadecylcarbamoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
CID 10346736
3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
CID 170122908

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium (CID 11646761) is 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium is CO[Si](CCCNCCOP(=O)(O)OCC[N+](C)(C)C)(OC)OC.
What is the InChIKey of 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium?
The InChIKey is JLFHOMSHCMVSCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H33N2O7PSi/c1-15(2,3)10-12-22-23(16,17)21-11-9-14-8-7-13-24(18-4,19-5)20-6/h14H,7-13H2,1-6H3/p+1.
What are the key properties of 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium?
2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium has a molecular weight of 389.48 g/mol, XLogP of 0.68, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[2-(3-trimethoxysilylpropylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 11646761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).