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

C12H22O2Si — CID 13161571

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CCCC1=O
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h7H,6,8-9H2,1-5H3
InChIKeyWALMERLOGIIOQJ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.30
Rot. Bonds3

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

2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one (PubChem CID 13161571) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
PubChem CID13161571
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CCCC1=O
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h7H,6,8-9H2,1-5H3
InChIKeyWALMERLOGIIOQJ-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one (CID 13161571) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OCC1=CCCC1=O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
The InChIKey is WALMERLOGIIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h7H,6,8-9H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one is sourced from PubChem (CID 13161571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).