diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate

C16H22O4Si — CID 11370227

IUPACdiethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate
SMILESCCOC(=O)C(=C[Si](C)(C)c1ccccc1)C(=O)OCC
InChIInChI=1S/C16H22O4Si/c1-5-19-15(17)14(16(18)20-6-2)12-21(3,4)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3
InChIKeyCFOQENWOXSXHOB-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.19
Rot. Bonds6

About diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate

diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate (PubChem CID 11370227) has the molecular formula C16H22O4Si and a molecular weight of 306.43 g/mol. Its IUPAC name is diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate.

Molecular Properties

Compound Namediethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate
PubChem CID11370227
Molecular FormulaC16H22O4Si
Molecular Weight306.43 g/mol
Exact Mass306.13
IUPAC Namediethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate
SMILESCCOC(=O)C(=C[Si](C)(C)c1ccccc1)C(=O)OCC
InChIInChI=1S/C16H22O4Si/c1-5-19-15(17)14(16(18)20-6-2)12-21(3,4)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3
InChIKeyCFOQENWOXSXHOB-UHFFFAOYSA-N
XLogP2.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate?
The IUPAC name of diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate (CID 11370227) is diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate.
What is the SMILES notation for diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate?
The canonical SMILES for diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate is CCOC(=O)C(=C[Si](C)(C)c1ccccc1)C(=O)OCC.
What is the InChIKey of diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate?
The InChIKey is CFOQENWOXSXHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4Si/c1-5-19-15(17)14(16(18)20-6-2)12-21(3,4)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3.
What are the key properties of diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate?
diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate has a molecular weight of 306.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[dimethyl(phenyl)silyl]methylidene]propanedioate is sourced from PubChem (CID 11370227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).