diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate

C19H34O4Si — CID 10338247

IUPACdiethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate
SMILESC=CCC(C/C=C/[Si](CC)(CC)CC)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H34O4Si/c1-7-14-19(17(20)22-8-2,18(21)23-9-3)15-13-16-24(10-4,11-5)12-6/h7,13,16H,1,8-12,14-15H2,2-6H3/b16-13+
InChIKeySSWLEZCVOYIVDF-DTQAZKPQSA-N
MW354.56 g/mol
LogP4.67
Rot. Bonds12

About diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate

diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate (PubChem CID 10338247) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate
PubChem CID10338247
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namediethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate
SMILESC=CCC(C/C=C/[Si](CC)(CC)CC)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H34O4Si/c1-7-14-19(17(20)22-8-2,18(21)23-9-3)15-13-16-24(10-4,11-5)12-6/h7,13,16H,1,8-12,14-15H2,2-6H3/b16-13+
InChIKeySSWLEZCVOYIVDF-DTQAZKPQSA-N
XLogP4.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.67
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate?
The IUPAC name of diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate (CID 10338247) is diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate.
What is the SMILES notation for diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate?
The canonical SMILES for diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate is C=CCC(C/C=C/[Si](CC)(CC)CC)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate?
The InChIKey is SSWLEZCVOYIVDF-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-7-14-19(17(20)22-8-2,18(21)23-9-3)15-13-16-24(10-4,11-5)12-6/h7,13,16H,1,8-12,14-15H2,2-6H3/b16-13+.
What are the key properties of diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate?
diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate has a molecular weight of 354.56 g/mol, XLogP of 4.67, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-prop-2-enyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate is sourced from PubChem (CID 10338247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).