[dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate

C13H18O2Si — CID 70446918

IUPAC[dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-5-11(2)13(14)15-16(3,4)12-9-7-6-8-10-12/h5-10H,1-4H3/b11-5+
InChIKeyZMCJQTYKKJPTEI-VZUCSPMQSA-N
MW234.37 g/mol
LogP2.61
Rot. Bonds3

About [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate

[dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate (PubChem CID 70446918) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate
PubChem CID70446918
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name[dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-5-11(2)13(14)15-16(3,4)12-9-7-6-8-10-12/h5-10H,1-4H3/b11-5+
InChIKeyZMCJQTYKKJPTEI-VZUCSPMQSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate 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 [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate?
The IUPAC name of [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate (CID 70446918) is [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate.
What is the SMILES notation for [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate?
The canonical SMILES for [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)O[Si](C)(C)c1ccccc1.
What is the InChIKey of [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate?
The InChIKey is ZMCJQTYKKJPTEI-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-5-11(2)13(14)15-16(3,4)12-9-7-6-8-10-12/h5-10H,1-4H3/b11-5+.
What are the key properties of [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate?
[dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate has a molecular weight of 234.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate is sourced from PubChem (CID 70446918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).