(ethyl-methyl-phenylsilyl)methyl prop-2-enoate

C13H18O2Si — CID 141219391

IUPAC(ethyl-methyl-phenylsilyl)methyl prop-2-enoate
SMILESC=CC(=O)OC[Si](C)(CC)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-4-13(14)15-11-16(3,5-2)12-9-7-6-8-10-12/h4,6-10H,1,5,11H2,2-3H3
InChIKeyGKCOFWJNYQPSOW-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.26
Rot. Bonds5

About (ethyl-methyl-phenylsilyl)methyl prop-2-enoate

(ethyl-methyl-phenylsilyl)methyl prop-2-enoate (PubChem CID 141219391) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is (ethyl-methyl-phenylsilyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(ethyl-methyl-phenylsilyl)methyl prop-2-enoate
PubChem CID141219391
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name(ethyl-methyl-phenylsilyl)methyl prop-2-enoate
SMILESC=CC(=O)OC[Si](C)(CC)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-4-13(14)15-11-16(3,5-2)12-9-7-6-8-10-12/h4,6-10H,1,5,11H2,2-3H3
InChIKeyGKCOFWJNYQPSOW-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.26
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 (ethyl-methyl-phenylsilyl)methyl prop-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 (ethyl-methyl-phenylsilyl)methyl prop-2-enoate?
The IUPAC name of (ethyl-methyl-phenylsilyl)methyl prop-2-enoate (CID 141219391) is (ethyl-methyl-phenylsilyl)methyl prop-2-enoate.
What is the SMILES notation for (ethyl-methyl-phenylsilyl)methyl prop-2-enoate?
The canonical SMILES for (ethyl-methyl-phenylsilyl)methyl prop-2-enoate is C=CC(=O)OC[Si](C)(CC)c1ccccc1.
What is the InChIKey of (ethyl-methyl-phenylsilyl)methyl prop-2-enoate?
The InChIKey is GKCOFWJNYQPSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-4-13(14)15-11-16(3,5-2)12-9-7-6-8-10-12/h4,6-10H,1,5,11H2,2-3H3.
What are the key properties of (ethyl-methyl-phenylsilyl)methyl prop-2-enoate?
(ethyl-methyl-phenylsilyl)methyl prop-2-enoate has a molecular weight of 234.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (ethyl-methyl-phenylsilyl)methyl prop-2-enoate is sourced from PubChem (CID 141219391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).