3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one

C11H20O2Si — CID 70268330

IUPAC3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=CCC(=O)C1
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h7H,6,8H2,1-5H3
InChIKeyQGJXBGRUVJWOQV-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.26
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one

3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one (PubChem CID 70268330) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one
PubChem CID70268330
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=CCC(=O)C1
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h7H,6,8H2,1-5H3
InChIKeyQGJXBGRUVJWOQV-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-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 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one (CID 70268330) is 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one is CC(C)(C)[Si](C)(C)OC1=CCC(=O)C1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one?
The InChIKey is QGJXBGRUVJWOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h7H,6,8H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one?
3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one has a molecular weight of 212.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one is sourced from PubChem (CID 70268330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).