trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane

C20H30NSi+ — CID 158022992

IUPACtrimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane
SMILESCc1ccc(CC(C)C)cc1-c1ccc([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C20H30NSi/c1-15(2)12-17-9-8-16(3)19(13-17)20-11-10-18(14-21(20)4)22(5,6)7/h8-11,13-15H,12H2,1-7H3/q+1
InChIKeyIUSNBVLYWCMBQE-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.23
Rot. Bonds4

About trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane

trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane (PubChem CID 158022992) has the molecular formula C20H30NSi+ and a molecular weight of 312.55 g/mol. Its IUPAC name is trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane
PubChem CID158022992
Molecular FormulaC20H30NSi+
Molecular Weight312.55 g/mol
Exact Mass312.21
IUPAC Nametrimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane
SMILESCc1ccc(CC(C)C)cc1-c1ccc([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C20H30NSi/c1-15(2)12-17-9-8-16(3)19(13-17)20-11-10-18(14-21(20)4)22(5,6)7/h8-11,13-15H,12H2,1-7H3/q+1
InChIKeyIUSNBVLYWCMBQE-UHFFFAOYSA-N
XLogP4.23
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane?
The IUPAC name of trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane (CID 158022992) is trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane.
What is the SMILES notation for trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane?
The canonical SMILES for trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane is Cc1ccc(CC(C)C)cc1-c1ccc([Si](C)(C)C)c[n+]1C.
What is the InChIKey of trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane?
The InChIKey is IUSNBVLYWCMBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30NSi/c1-15(2)12-17-9-8-16(3)19(13-17)20-11-10-18(14-21(20)4)22(5,6)7/h8-11,13-15H,12H2,1-7H3/q+1.
What are the key properties of trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane?
trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane has a molecular weight of 312.55 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane is sourced from PubChem (CID 158022992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).