diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate

C19H36O5Si — CID 11090046

IUPACdiethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate
SMILESC=CCCC(CCO[Si](C)(C)C(C)(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H36O5Si/c1-9-12-13-19(16(20)22-10-2,17(21)23-11-3)14-15-24-25(7,8)18(4,5)6/h9H,1,10-15H2,2-8H3
InChIKeyVGVGYIJSWSQOCT-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.48
Rot. Bonds11

About diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate

diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate (PubChem CID 11090046) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate
PubChem CID11090046
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Namediethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate
SMILESC=CCCC(CCO[Si](C)(C)C(C)(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H36O5Si/c1-9-12-13-19(16(20)22-10-2,17(21)23-11-3)14-15-24-25(7,8)18(4,5)6/h9H,1,10-15H2,2-8H3
InChIKeyVGVGYIJSWSQOCT-UHFFFAOYSA-N
XLogP4.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate?
The IUPAC name of diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate (CID 11090046) is diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate.
What is the SMILES notation for diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate?
The canonical SMILES for diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate is C=CCCC(CCO[Si](C)(C)C(C)(C)C)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate?
The InChIKey is VGVGYIJSWSQOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-9-12-13-19(16(20)22-10-2,17(21)23-11-3)14-15-24-25(7,8)18(4,5)6/h9H,1,10-15H2,2-8H3.
What are the key properties of diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate?
diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate has a molecular weight of 372.58 g/mol, XLogP of 4.48, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-but-3-enyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]propanedioate is sourced from PubChem (CID 11090046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).