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

C13H30BF4NO3Si — CID 140926583

IUPACtriethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate
SMILESCCO[Si](CC[N+]1(C)CCCC1)(OCC)OCC.F[B-](F)(F)F
InChIInChI=1S/C13H30NO3Si.BF4/c1-5-15-18(16-6-2,17-7-3)13-12-14(4)10-8-9-11-14;2-1(3,4)5/h5-13H2,1-4H3;/q+1;-1
InChIKeySQFZOLSVULEBHY-UHFFFAOYSA-N
MW363.28 g/mol
LogP3.58
Rot. Bonds9

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

triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate (PubChem CID 140926583) has the molecular formula C13H30BF4NO3Si and a molecular weight of 363.28 g/mol. Its IUPAC name is triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate.

Molecular Properties

Compound Nametriethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate
PubChem CID140926583
Molecular FormulaC13H30BF4NO3Si
Molecular Weight363.28 g/mol
Exact Mass363.20
IUPAC Nametriethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate
SMILESCCO[Si](CC[N+]1(C)CCCC1)(OCC)OCC.F[B-](F)(F)F
InChIInChI=1S/C13H30NO3Si.BF4/c1-5-15-18(16-6-2,17-7-3)13-12-14(4)10-8-9-11-14;2-1(3,4)5/h5-13H2,1-4H3;/q+1;-1
InChIKeySQFZOLSVULEBHY-UHFFFAOYSA-N
XLogP3.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate?
The IUPAC name of triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate (CID 140926583) is triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate.
What is the SMILES notation for triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate?
The canonical SMILES for triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate is CCO[Si](CC[N+]1(C)CCCC1)(OCC)OCC.F[B-](F)(F)F.
What is the InChIKey of triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate?
The InChIKey is SQFZOLSVULEBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NO3Si.BF4/c1-5-15-18(16-6-2,17-7-3)13-12-14(4)10-8-9-11-14;2-1(3,4)5/h5-13H2,1-4H3;/q+1;-1.
What are the key properties of triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate?
triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate has a molecular weight of 363.28 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate is sourced from PubChem (CID 140926583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).