dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)

C22H52N2O9Si — CID 22013492

IUPACdioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)
SMILESCC[N+](CCCO)(CCCO)CCCO.CC[N+](CCCO)(CCCO)CCCO.O=[Si]([O-])[O-]
InChIInChI=1S/2C11H26NO3.O3Si/c2*1-2-12(6-3-9-13,7-4-10-14)8-5-11-15;1-4(2)3/h2*13-15H,2-11H2,1H3;/q2*+1;-2
InChIKeyUGMGJELMUOPLKG-UHFFFAOYSA-N
MW516.75 g/mol
LogP-2.94
Rot. Bonds20

About dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)

dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium) (PubChem CID 22013492) has the molecular formula C22H52N2O9Si and a molecular weight of 516.75 g/mol. Its IUPAC name is dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium).

Molecular Properties

Compound Namedioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)
PubChem CID22013492
Molecular FormulaC22H52N2O9Si
Molecular Weight516.75 g/mol
Exact Mass516.34
IUPAC Namedioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)
SMILESCC[N+](CCCO)(CCCO)CCCO.CC[N+](CCCO)(CCCO)CCCO.O=[Si]([O-])[O-]
InChIInChI=1S/2C11H26NO3.O3Si/c2*1-2-12(6-3-9-13,7-4-10-14)8-5-11-15;1-4(2)3/h2*13-15H,2-11H2,1H3;/q2*+1;-2
InChIKeyUGMGJELMUOPLKG-UHFFFAOYSA-N
XLogP-2.94
TPSA184.57 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.75
LogP ≤ 5-2.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

diethyl-bis(3-hydroxypropyl)azanium hydroxide
CID 22731865
triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide
CID 21150177
ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium
CID 153332867
triethyl(11-hydroxyundecyl)azanium bromide
CID 71366854
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768
tetrakis(3-hydroxypropyl)azanium chloride
CID 19093166
disodium;dioxido(oxo)silane;ethanol
CID 174904732
dioxido(oxo)silane;bis(tetrapropylazanium)
CID 87503534
butyl-(3-hydroxypropyl)-dipentylazanium bromide
CID 139955349
diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride
CID 153332898
bis(butyl(triethyl)azanium);carbonate
CID 87364297
butyl-hexyl-(3-hydroxypropyl)-pentylazanium chloride
CID 139954430

Frequently Asked Questions

What is the IUPAC name of dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)?
The IUPAC name of dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium) (CID 22013492) is dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium).
What is the SMILES notation for dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)?
The canonical SMILES for dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium) is CC[N+](CCCO)(CCCO)CCCO.CC[N+](CCCO)(CCCO)CCCO.O=[Si]([O-])[O-].
What is the InChIKey of dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)?
The InChIKey is UGMGJELMUOPLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H26NO3.O3Si/c2*1-2-12(6-3-9-13,7-4-10-14)8-5-11-15;1-4(2)3/h2*13-15H,2-11H2,1H3;/q2*+1;-2.
What are the key properties of dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)?
dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium) has a molecular weight of 516.75 g/mol, XLogP of -2.94, 20 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium) is sourced from PubChem (CID 22013492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).