4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one

C12H24OSi — CID 14451167

IUPAC4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one
SMILESCC1(C)CC([Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C12H24OSi/c1-11(2,3)14(6,7)9-8-12(4,5)10(9)13/h9H,8H2,1-7H3
InChIKeyHFDHHGHLDQBYHG-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.86
Rot. Bonds1

About 4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one

4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one (PubChem CID 14451167) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one
PubChem CID14451167
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one
SMILESCC1(C)CC([Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C12H24OSi/c1-11(2,3)14(6,7)9-8-12(4,5)10(9)13/h9H,8H2,1-7H3
InChIKeyHFDHHGHLDQBYHG-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.86
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
4,4-Dimethyl-1-(trimethylsilyl)pentane-1,3-dione
CID 15515064
4-Methyl-4-trimethylsilylpentan-2-one
CID 12736439
2-[Tert-butyl(dimethyl)silyl]-2-methylcyclobutan-1-one
CID 13446389
5,5-Dimethyl-1-trimethylsilylhexan-3-one
CID 100921794
4,4-Dimethyl-1-trimethylsilylpentan-2-one
CID 14272124
4,4-Dimethyl-5-trimethylsilylpentan-2-one
CID 17756223
2,2-Dimethyl-7-trimethylsilylheptan-3-one
CID 23525952
CID 54316608
CID 54316608
3,3-Dimethyl-1-trimethylsilylpentan-2-one
CID 57591977
4,4-Dimethyl-1-trimethylsilylhexan-3-one
CID 58205907
3-Methyl-3-(trimethylsilylmethyl)pentan-2-one
CID 58820876

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one (CID 14451167) is 4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one is CC1(C)CC([Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one?
The InChIKey is HFDHHGHLDQBYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-11(2,3)14(6,7)9-8-12(4,5)10(9)13/h9H,8H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one?
4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one has a molecular weight of 212.41 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one is sourced from PubChem (CID 14451167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).