bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane

C20H34N2O4Si — CID 142675519

IUPACbis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
SMILESC[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1.[O-][Si]([O-])(O)O
InChIInChI=1S/2C10H16N.H2O4Si/c2*1-11(2,3)9-10-7-5-4-6-8-10;1-5(2,3)4/h2*4-8H,9H2,1-3H3;1-2H/q2*+1;-2
InChIKeyKHIZBEOHVHDZOK-UHFFFAOYSA-N
MW394.59 g/mol
LogP-0.09
Rot. Bonds4

About bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane

bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane (PubChem CID 142675519) has the molecular formula C20H34N2O4Si and a molecular weight of 394.59 g/mol. Its IUPAC name is bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane.

Molecular Properties

Compound Namebis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
PubChem CID142675519
Molecular FormulaC20H34N2O4Si
Molecular Weight394.59 g/mol
Exact Mass394.23
IUPAC Namebis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
SMILESC[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1.[O-][Si]([O-])(O)O
InChIInChI=1S/2C10H16N.H2O4Si/c2*1-11(2,3)9-10-7-5-4-6-8-10;1-5(2,3)4/h2*4-8H,9H2,1-3H3;1-2H/q2*+1;-2
InChIKeyKHIZBEOHVHDZOK-UHFFFAOYSA-N
XLogP-0.09
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

benzyl(trimethyl)azanium;hydroxymethanolate
CID 87247218
CID 87882196
CID 87882196
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
benzyl(trimethyl)azanium;propanoate
CID 87903949
benzyl(trimethyl)azanium;propanedioic acid
CID 87600376
sodium;benzyl(trimethyl)azanium;carbonic acid;sulfate
CID 158178095
benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide
CID 87100014
benzyl(trimethyl)azanium;ethoxyethane
CID 88793118
tris(benzyl(trimethyl)azanium);chlorobenzene;tribromide
CID 175078088
benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
CID 172808382
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
benzyl(trimethyl)azanium;2-carboxybenzoate
CID 160859631

Frequently Asked Questions

What is the IUPAC name of bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane?
The IUPAC name of bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane (CID 142675519) is bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane.
What is the SMILES notation for bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane?
The canonical SMILES for bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane is C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1.[O-][Si]([O-])(O)O.
What is the InChIKey of bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane?
The InChIKey is KHIZBEOHVHDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N.H2O4Si/c2*1-11(2,3)9-10-7-5-4-6-8-10;1-5(2,3)4/h2*4-8H,9H2,1-3H3;1-2H/q2*+1;-2.
What are the key properties of bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane?
bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane has a molecular weight of 394.59 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane is sourced from PubChem (CID 142675519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).