ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium

C17H40NO5Si+ — CID 153332867

IUPACethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium
SMILESCCO[Si](CCC[N+](CC)(CCCO)CCCO)(OCC)OCC
InChIInChI=1S/C17H40NO5Si/c1-5-18(12-9-15-19,13-10-16-20)14-11-17-24(21-6-2,22-7-3)23-8-4/h19-20H,5-17H2,1-4H3/q+1
InChIKeyXZSMMZMJHNQNGC-UHFFFAOYSA-N
MW366.60 g/mol
LogP2.03
Rot. Bonds17

About ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium

ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium (PubChem CID 153332867) has the molecular formula C17H40NO5Si+ and a molecular weight of 366.60 g/mol. Its IUPAC name is ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium.

Molecular Properties

Compound Nameethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium
PubChem CID153332867
Molecular FormulaC17H40NO5Si+
Molecular Weight366.60 g/mol
Exact Mass366.27
IUPAC Nameethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium
SMILESCCO[Si](CCC[N+](CC)(CCCO)CCCO)(OCC)OCC
InChIInChI=1S/C17H40NO5Si/c1-5-18(12-9-15-19,13-10-16-20)14-11-17-24(21-6-2,22-7-3)23-8-4/h19-20H,5-17H2,1-4H3/q+1
InChIKeyXZSMMZMJHNQNGC-UHFFFAOYSA-N
XLogP2.03
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium?
The IUPAC name of ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium (CID 153332867) is ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium.
What is the SMILES notation for ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium?
The canonical SMILES for ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium is CCO[Si](CCC[N+](CC)(CCCO)CCCO)(OCC)OCC.
What is the InChIKey of ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium?
The InChIKey is XZSMMZMJHNQNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40NO5Si/c1-5-18(12-9-15-19,13-10-16-20)14-11-17-24(21-6-2,22-7-3)23-8-4/h19-20H,5-17H2,1-4H3/q+1.
What are the key properties of ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium?
ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium has a molecular weight of 366.60 g/mol, XLogP of 2.03, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium is sourced from PubChem (CID 153332867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).