triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane

C14H32NO3Si+ — CID 150134366

IUPACtriethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane
SMILESCCO[Si](CCC[N+]1(C)CCCC1)(OCC)OCC
InChIInChI=1S/C14H32NO3Si/c1-5-16-19(17-6-2,18-7-3)14-10-13-15(4)11-8-9-12-15/h5-14H2,1-4H3/q+1
InChIKeyFBXRUSOLNWABPZ-UHFFFAOYSA-N
MW290.50 g/mol
LogP2.67
Rot. Bonds10

About triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane

triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane (PubChem CID 150134366) has the molecular formula C14H32NO3Si+ and a molecular weight of 290.50 g/mol. Its IUPAC name is triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane
PubChem CID150134366
Molecular FormulaC14H32NO3Si+
Molecular Weight290.50 g/mol
Exact Mass290.21
IUPAC Nametriethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane
SMILESCCO[Si](CCC[N+]1(C)CCCC1)(OCC)OCC
InChIInChI=1S/C14H32NO3Si/c1-5-16-19(17-6-2,18-7-3)14-10-13-15(4)11-8-9-12-15/h5-14H2,1-4H3/q+1
InChIKeyFBXRUSOLNWABPZ-UHFFFAOYSA-N
XLogP2.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 52.67
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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Related Compounds

triethoxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]silane tetrafluoroborate
CID 140926583
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane
CID 140926591
1-butyl-1-methylpyrrolidin-1-ium iodide
CID 11076461
CID 71609443
CID 71609443
1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
CID 3048054
1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium dihydroxide
CID 156717813
1-methyl-1-nonylpyrrolidin-1-ium
CID 66835403
trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane
CID 19900973
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane?
The IUPAC name of triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane (CID 150134366) is triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane.
What is the SMILES notation for triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane?
The canonical SMILES for triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane is CCO[Si](CCC[N+]1(C)CCCC1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane?
The InChIKey is FBXRUSOLNWABPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO3Si/c1-5-16-19(17-6-2,18-7-3)14-10-13-15(4)11-8-9-12-15/h5-14H2,1-4H3/q+1.
What are the key properties of triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane?
triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane has a molecular weight of 290.50 g/mol, XLogP of 2.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]silane is sourced from PubChem (CID 150134366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).