1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone

C11H22OSi — CID 11117027

IUPAC1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone
SMILESCC(=O)C1CCC1(C)C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-9(12)10-6-7-11(10,2)8-13(3,4)5/h10H,6-8H2,1-5H3
InChIKeyMYFUFOBPLQAKAN-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.33
Rot. Bonds3

About 1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone

1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone (PubChem CID 11117027) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone
PubChem CID11117027
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone
SMILESCC(=O)C1CCC1(C)C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-9(12)10-6-7-11(10,2)8-13(3,4)5/h10H,6-8H2,1-5H3
InChIKeyMYFUFOBPLQAKAN-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.33
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-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone?
The IUPAC name of 1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone (CID 11117027) is 1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone.
What is the SMILES notation for 1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone?
The canonical SMILES for 1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone is CC(=O)C1CCC1(C)C[Si](C)(C)C.
What is the InChIKey of 1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone?
The InChIKey is MYFUFOBPLQAKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-9(12)10-6-7-11(10,2)8-13(3,4)5/h10H,6-8H2,1-5H3.
What are the key properties of 1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone?
1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone has a molecular weight of 198.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(trimethylsilylmethyl)cyclobutyl]ethanone is sourced from PubChem (CID 11117027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).