1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one

C19H37NOSi2 — CID 102126883

IUPAC1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C=C(C([Si](C)(C)C)[Si](C)(C)C)C=CC1C(C)C
InChIInChI=1S/C19H37NOSi2/c1-14(2)17-12-11-16(13-20(17)18(21)15(3)4)19(22(5,6)7)23(8,9)10/h11-15,17,19H,1-10H3
InChIKeyFIVFZYGMUZABPD-UHFFFAOYSA-N
MW351.68 g/mol
LogP5.54
Rot. Bonds5

About 1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one

1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one (PubChem CID 102126883) has the molecular formula C19H37NOSi2 and a molecular weight of 351.68 g/mol. Its IUPAC name is 1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one
PubChem CID102126883
Molecular FormulaC19H37NOSi2
Molecular Weight351.68 g/mol
Exact Mass351.24
IUPAC Name1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C=C(C([Si](C)(C)C)[Si](C)(C)C)C=CC1C(C)C
InChIInChI=1S/C19H37NOSi2/c1-14(2)17-12-11-16(13-20(17)18(21)15(3)4)19(22(5,6)7)23(8,9)10/h11-15,17,19H,1-10H3
InChIKeyFIVFZYGMUZABPD-UHFFFAOYSA-N
XLogP5.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.68
LogP ≤ 55.54
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 1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one (CID 102126883) is 1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1C=C(C([Si](C)(C)C)[Si](C)(C)C)C=CC1C(C)C.
What is the InChIKey of 1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one?
The InChIKey is FIVFZYGMUZABPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NOSi2/c1-14(2)17-12-11-16(13-20(17)18(21)15(3)4)19(22(5,6)7)23(8,9)10/h11-15,17,19H,1-10H3.
What are the key properties of 1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one?
1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one has a molecular weight of 351.68 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[bis(trimethylsilyl)methyl]-2-propan-2-yl-2H-pyridin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 102126883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).