4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one

C11H20OSi — CID 21296243

IUPAC4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)C1C=CC(=O)C1
InChIInChI=1S/C11H20OSi/c1-11(2,3)13(4,5)10-7-6-9(12)8-10/h6-7,10H,8H2,1-5H3
InChIKeyDCSDFCDVBHVMCT-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.39
Rot. Bonds1

About 4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one (PubChem CID 21296243) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one
PubChem CID21296243
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)C1C=CC(=O)C1
InChIInChI=1S/C11H20OSi/c1-11(2,3)13(4,5)10-7-6-9(12)8-10/h6-7,10H,8H2,1-5H3
InChIKeyDCSDFCDVBHVMCT-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.39
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 4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one (CID 21296243) is 4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)C1C=CC(=O)C1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one?
The InChIKey is DCSDFCDVBHVMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-11(2,3)13(4,5)10-7-6-9(12)8-10/h6-7,10H,8H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one has a molecular weight of 196.37 g/mol, XLogP of 3.39, 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]cyclopent-2-en-1-one is sourced from PubChem (CID 21296243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).