trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane

C16H21NSi — CID 157244482

IUPACtrimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C)c([Si](C)(C)C)cn2)cc1
InChIInChI=1S/C16H21NSi/c1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5/h6-11H,1-5H3/i1D3
InChIKeyAEUFNHIKVYZMFW-FIBGUPNXSA-N
MW258.46 g/mol
LogP3.91
Rot. Bonds3

About trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane

trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane (PubChem CID 157244482) has the molecular formula C16H21NSi and a molecular weight of 258.46 g/mol. Its IUPAC name is trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane
PubChem CID157244482
Molecular FormulaC16H21NSi
Molecular Weight258.46 g/mol
Exact Mass258.16
IUPAC Nametrimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C)c([Si](C)(C)C)cn2)cc1
InChIInChI=1S/C16H21NSi/c1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5/h6-11H,1-5H3/i1D3
InChIKeyAEUFNHIKVYZMFW-FIBGUPNXSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane?
The IUPAC name of trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane (CID 157244482) is trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane.
What is the SMILES notation for trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane?
The canonical SMILES for trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane is [2H]C([2H])([2H])c1ccc(-c2cc(C)c([Si](C)(C)C)cn2)cc1.
What is the InChIKey of trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane?
The InChIKey is AEUFNHIKVYZMFW-FIBGUPNXSA-N. The full InChI is InChI=1S/C16H21NSi/c1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5/h6-11H,1-5H3/i1D3.
What are the key properties of trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane?
trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane has a molecular weight of 258.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-methyl-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]silane is sourced from PubChem (CID 157244482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).