1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one

C17H40OSi3 — CID 141363023

IUPAC1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one
SMILESCC(=O)C([Si](C)(C)C(C)(C)C)[Si](C)(C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H40OSi3/c1-14(18)15(19(8,9)16(2,3)4)20(10,11)21(12,13)17(5,6)7/h15H,1-13H3
InChIKeySJOYBCQIOKMYBX-UHFFFAOYSA-N
MW344.76 g/mol
LogP6.29
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one

1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one (PubChem CID 141363023) has the molecular formula C17H40OSi3 and a molecular weight of 344.76 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one
PubChem CID141363023
Molecular FormulaC17H40OSi3
Molecular Weight344.76 g/mol
Exact Mass344.24
IUPAC Name1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one
SMILESCC(=O)C([Si](C)(C)C(C)(C)C)[Si](C)(C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H40OSi3/c1-14(18)15(19(8,9)16(2,3)4)20(10,11)21(12,13)17(5,6)7/h15H,1-13H3
InChIKeySJOYBCQIOKMYBX-UHFFFAOYSA-N
XLogP6.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.76
LogP ≤ 56.29
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-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one (CID 141363023) is 1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one is CC(=O)C([Si](C)(C)C(C)(C)C)[Si](C)(C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one?
The InChIKey is SJOYBCQIOKMYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40OSi3/c1-14(18)15(19(8,9)16(2,3)4)20(10,11)21(12,13)17(5,6)7/h15H,1-13H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one?
1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one has a molecular weight of 344.76 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-1-[[tert-butyl(dimethyl)silyl]-dimethylsilyl]propan-2-one is sourced from PubChem (CID 141363023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).