triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane

C18H40NO3Si+ — CID 140926591

IUPACtriethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane
SMILESCCCCCC[N+]1(CC[Si](OCC)(OCC)OCC)CCCC1
InChIInChI=1S/C18H40NO3Si/c1-5-9-10-11-14-19(15-12-13-16-19)17-18-23(20-6-2,21-7-3)22-8-4/h5-18H2,1-4H3/q+1
InChIKeyILWVBUYMTWKECO-UHFFFAOYSA-N
MW346.61 g/mol
LogP4.23
Rot. Bonds14

About triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane

triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane (PubChem CID 140926591) has the molecular formula C18H40NO3Si+ and a molecular weight of 346.61 g/mol. Its IUPAC name is triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane
PubChem CID140926591
Molecular FormulaC18H40NO3Si+
Molecular Weight346.61 g/mol
Exact Mass346.28
IUPAC Nametriethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane
SMILESCCCCCC[N+]1(CC[Si](OCC)(OCC)OCC)CCCC1
InChIInChI=1S/C18H40NO3Si/c1-5-9-10-11-14-19(15-12-13-16-19)17-18-23(20-6-2,21-7-3)22-8-4/h5-18H2,1-4H3/q+1
InChIKeyILWVBUYMTWKECO-UHFFFAOYSA-N
XLogP4.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate
CID 140926605
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1-nonadecyl-1-octadecylpyrrolidin-1-ium
CID 69388372
1-dodecyl-1-pentylpyrrolidin-1-ium
CID 69392906
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839
1,1-dioctylpiperidin-1-ium
CID 23148538
1-dodecyl-1-octylpiperidin-1-ium
CID 172831286
1-dodecyl-1-[14-(1-dodecylpyrrolidin-1-ium-1-yl)tetradecyl]pyrrolidin-1-ium dibromide
CID 175685029
1-butyl-1-octylpyrrolidin-1-ium
CID 66835414

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane?
The IUPAC name of triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane (CID 140926591) is triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane.
What is the SMILES notation for triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane?
The canonical SMILES for triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane is CCCCCC[N+]1(CC[Si](OCC)(OCC)OCC)CCCC1.
What is the InChIKey of triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane?
The InChIKey is ILWVBUYMTWKECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NO3Si/c1-5-9-10-11-14-19(15-12-13-16-19)17-18-23(20-6-2,21-7-3)22-8-4/h5-18H2,1-4H3/q+1.
What are the key properties of triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane?
triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane has a molecular weight of 346.61 g/mol, XLogP of 4.23, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane is sourced from PubChem (CID 140926591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).