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

C11H22OSi — CID 13446389

IUPAC2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one
SMILESCC(C)(C)[Si](C)(C)C1(C)CCC1=O
InChIInChI=1S/C11H22OSi/c1-10(2,3)13(5,6)11(4)8-7-9(11)12/h7-8H2,1-6H3
InChIKeyOXHXMSNZECDYDV-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.62
Rot. Bonds1

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

2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one (PubChem CID 13446389) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one
PubChem CID13446389
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one
SMILESCC(C)(C)[Si](C)(C)C1(C)CCC1=O
InChIInChI=1S/C11H22OSi/c1-10(2,3)13(5,6)11(4)8-7-9(11)12/h7-8H2,1-6H3
InChIKeyOXHXMSNZECDYDV-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(Trimethylsilyl)methyl]cyclobutan-1-one
CID 130032031
4-Methyl-4-trimethylsilylpentan-2-one
CID 12736439
4-[Tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one
CID 14451167
1-[Tert-butyl(dimethyl)silyl]hexan-2-one
CID 15033607
(3S)-3-[tert-butyl(dimethyl)silyl]hexan-2-one
CID 21671737
CID 54316608
CID 54316608
3-Methyl-4-trimethylsilylcyclobutane-1,2-dione
CID 57000131
(3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one
CID 59541187
1-[Tert-butyl(dimethyl)silyl]pentane-1,2-dione
CID 87383320
1-(1,1-Dimethylsiletan-3-yl)propan-2-one
CID 139777852
1-[Tert-butyl(dimethyl)silyl]pentan-2-one
CID 15033606
2-(2-Trimethylsilylethynyl)cyclobutan-1-one
CID 101016219

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one (CID 13446389) is 2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one is CC(C)(C)[Si](C)(C)C1(C)CCC1=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one?
The InChIKey is OXHXMSNZECDYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-10(2,3)13(5,6)11(4)8-7-9(11)12/h7-8H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one?
2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one has a molecular weight of 198.38 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one is sourced from PubChem (CID 13446389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).