triethoxy-(3-methylimidazol-3-ium-1-yl)silane

C10H21N2O3Si+ — CID 174782317

IUPACtriethoxy-(3-methylimidazol-3-ium-1-yl)silane
SMILESCCO[Si](OCC)(OCC)n1cc[n+](C)c1
InChIInChI=1S/C10H21N2O3Si/c1-5-13-16(14-6-2,15-7-3)12-9-8-11(4)10-12/h8-10H,5-7H2,1-4H3/q+1
InChIKeyIEEDBCGELMNKSS-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.71
Rot. Bonds7

About triethoxy-(3-methylimidazol-3-ium-1-yl)silane

triethoxy-(3-methylimidazol-3-ium-1-yl)silane (PubChem CID 174782317) has the molecular formula C10H21N2O3Si+ and a molecular weight of 245.37 g/mol. Its IUPAC name is triethoxy-(3-methylimidazol-3-ium-1-yl)silane.

Molecular Properties

Compound Nametriethoxy-(3-methylimidazol-3-ium-1-yl)silane
PubChem CID174782317
Molecular FormulaC10H21N2O3Si+
Molecular Weight245.37 g/mol
Exact Mass245.13
IUPAC Nametriethoxy-(3-methylimidazol-3-ium-1-yl)silane
SMILESCCO[Si](OCC)(OCC)n1cc[n+](C)c1
InChIInChI=1S/C10H21N2O3Si/c1-5-13-16(14-6-2,15-7-3)12-9-8-11(4)10-12/h8-10H,5-7H2,1-4H3/q+1
InChIKeyIEEDBCGELMNKSS-UHFFFAOYSA-N
XLogP0.71
TPSA36.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane
CID 15500386
1-methyl-3-(3-methylimidazol-3-ium-1-yl)imidazol-1-ium
CID 102495920
1-methyl-3-(2-methylbutan-2-yl)imidazol-1-ium
CID 59783021
1-ethyl-3-methylimidazol-3-ium;trihydroiodide
CID 175038579
1-methyl-3-[[2,3,4,5,6-pentakis[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium
CID 101387085
triethoxy(pyrazol-1-yl)silane
CID 86063199
(3-butylimidazol-3-ium-1-yl)-trimethoxysilane bromide
CID 175325768
1-ethylsulfonyl-3-methylimidazol-3-ium
CID 175458689
dicyanoboranuide;1-ethyl-3-methylimidazol-3-ium
CID 173491123
1,3-dimethylimidazol-1-ium;ethane
CID 90798185
1-O-ethyl 3-O-methyl (2R)-2-methyl-2-(3-methylimidazol-3-ium-1-yl)propanedioate bromide
CID 87076327
chloro-dimethyl-[(3-methylimidazol-3-ium-1-yl)methyl]silane
CID 153323826

Frequently Asked Questions

What is the IUPAC name of triethoxy-(3-methylimidazol-3-ium-1-yl)silane?
The IUPAC name of triethoxy-(3-methylimidazol-3-ium-1-yl)silane (CID 174782317) is triethoxy-(3-methylimidazol-3-ium-1-yl)silane.
What is the SMILES notation for triethoxy-(3-methylimidazol-3-ium-1-yl)silane?
The canonical SMILES for triethoxy-(3-methylimidazol-3-ium-1-yl)silane is CCO[Si](OCC)(OCC)n1cc[n+](C)c1.
What is the InChIKey of triethoxy-(3-methylimidazol-3-ium-1-yl)silane?
The InChIKey is IEEDBCGELMNKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O3Si/c1-5-13-16(14-6-2,15-7-3)12-9-8-11(4)10-12/h8-10H,5-7H2,1-4H3/q+1.
What are the key properties of triethoxy-(3-methylimidazol-3-ium-1-yl)silane?
triethoxy-(3-methylimidazol-3-ium-1-yl)silane has a molecular weight of 245.37 g/mol, XLogP of 0.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(3-methylimidazol-3-ium-1-yl)silane is sourced from PubChem (CID 174782317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).