1-[tert-butyl(dimethyl)silyl]ethanone

C8H18OSi — CID 11367157

IUPAC1-[tert-butyl(dimethyl)silyl]ethanone
SMILESCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C8H18OSi/c1-7(9)10(5,6)8(2,3)4/h1-6H3
InChIKeyLGOXIFWKYQZGSV-UHFFFAOYSA-N
MW158.32 g/mol
LogP2.62
Rot. Bonds1

About 1-[tert-butyl(dimethyl)silyl]ethanone

1-[tert-butyl(dimethyl)silyl]ethanone (PubChem CID 11367157) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]ethanone.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]ethanone
PubChem CID11367157
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name1-[tert-butyl(dimethyl)silyl]ethanone
SMILESCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C8H18OSi/c1-7(9)10(5,6)8(2,3)4/h1-6H3
InChIKeyLGOXIFWKYQZGSV-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 52.62
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]ethanone?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]ethanone (CID 11367157) is 1-[tert-butyl(dimethyl)silyl]ethanone.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]ethanone?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]ethanone is CC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]ethanone?
The InChIKey is LGOXIFWKYQZGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi/c1-7(9)10(5,6)8(2,3)4/h1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]ethanone?
1-[tert-butyl(dimethyl)silyl]ethanone has a molecular weight of 158.32 g/mol, XLogP of 2.62, 1 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]ethanone is sourced from PubChem (CID 11367157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).