[(3-ethenylphenyl)-dimethylsilyl] acetate

C12H16O2Si — CID 18364074

IUPAC[(3-ethenylphenyl)-dimethylsilyl] acetate
SMILESC=Cc1cccc([Si](C)(C)OC(C)=O)c1
InChIInChI=1S/C12H16O2Si/c1-5-11-7-6-8-12(9-11)15(3,4)14-10(2)13/h5-9H,1H2,2-4H3
InChIKeyRHYCTQCNMOTWPY-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.30
Rot. Bonds3

About [(3-ethenylphenyl)-dimethylsilyl] acetate

[(3-ethenylphenyl)-dimethylsilyl] acetate (PubChem CID 18364074) has the molecular formula C12H16O2Si and a molecular weight of 220.34 g/mol. Its IUPAC name is [(3-ethenylphenyl)-dimethylsilyl] acetate.

Molecular Properties

Compound Name[(3-ethenylphenyl)-dimethylsilyl] acetate
PubChem CID18364074
Molecular FormulaC12H16O2Si
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name[(3-ethenylphenyl)-dimethylsilyl] acetate
SMILESC=Cc1cccc([Si](C)(C)OC(C)=O)c1
InChIInChI=1S/C12H16O2Si/c1-5-11-7-6-8-12(9-11)15(3,4)14-10(2)13/h5-9H,1H2,2-4H3
InChIKeyRHYCTQCNMOTWPY-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3-ethenylphenyl)-dimethylsilyl] acetate 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-ethenylphenyl)-dimethylsilyl] acetate?
The IUPAC name of [(3-ethenylphenyl)-dimethylsilyl] acetate (CID 18364074) is [(3-ethenylphenyl)-dimethylsilyl] acetate.
What is the SMILES notation for [(3-ethenylphenyl)-dimethylsilyl] acetate?
The canonical SMILES for [(3-ethenylphenyl)-dimethylsilyl] acetate is C=Cc1cccc([Si](C)(C)OC(C)=O)c1.
What is the InChIKey of [(3-ethenylphenyl)-dimethylsilyl] acetate?
The InChIKey is RHYCTQCNMOTWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2Si/c1-5-11-7-6-8-12(9-11)15(3,4)14-10(2)13/h5-9H,1H2,2-4H3.
What are the key properties of [(3-ethenylphenyl)-dimethylsilyl] acetate?
[(3-ethenylphenyl)-dimethylsilyl] acetate has a molecular weight of 220.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethenylphenyl)-dimethylsilyl] acetate is sourced from PubChem (CID 18364074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).