3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one

C12H24OSi — CID 102040523

IUPAC3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one
SMILESCCC1(CC)CC(=O)C1C[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-6-12(7-2)8-11(13)10(12)9-14(3,4)5/h10H,6-9H2,1-5H3
InChIKeyNWTIZQWVRHSIOJ-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.72
Rot. Bonds4

About 3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one

3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one (PubChem CID 102040523) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one.

Molecular Properties

Compound Name3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one
PubChem CID102040523
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one
SMILESCCC1(CC)CC(=O)C1C[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-6-12(7-2)8-11(13)10(12)9-14(3,4)5/h10H,6-9H2,1-5H3
InChIKeyNWTIZQWVRHSIOJ-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.72
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 3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one?
The IUPAC name of 3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one (CID 102040523) is 3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one.
What is the SMILES notation for 3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one?
The canonical SMILES for 3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one is CCC1(CC)CC(=O)C1C[Si](C)(C)C.
What is the InChIKey of 3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one?
The InChIKey is NWTIZQWVRHSIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-6-12(7-2)8-11(13)10(12)9-14(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one?
3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one has a molecular weight of 212.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2-(trimethylsilylmethyl)cyclobutan-1-one is sourced from PubChem (CID 102040523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).