diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate

C14H26O4Si — CID 11161981

IUPACdiethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate
SMILESCCOC(=O)CC/C(=C/C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C14H26O4Si/c1-6-17-13(15)9-8-12(14(16)18-7-2)10-11-19(3,4)5/h10H,6-9,11H2,1-5H3/b12-10-
InChIKeyXZIRYBLGDWNHNY-BENRWUELSA-N
MW286.44 g/mol
LogP3.16
Rot. Bonds8

About diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate

diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate (PubChem CID 11161981) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate.

Molecular Properties

Compound Namediethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate
PubChem CID11161981
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Namediethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate
SMILESCCOC(=O)CC/C(=C/C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C14H26O4Si/c1-6-17-13(15)9-8-12(14(16)18-7-2)10-11-19(3,4)5/h10H,6-9,11H2,1-5H3/b12-10-
InChIKeyXZIRYBLGDWNHNY-BENRWUELSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate?
The IUPAC name of diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate (CID 11161981) is diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate.
What is the SMILES notation for diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate?
The canonical SMILES for diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate is CCOC(=O)CC/C(=C/C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate?
The InChIKey is XZIRYBLGDWNHNY-BENRWUELSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-6-17-13(15)9-8-12(14(16)18-7-2)10-11-19(3,4)5/h10H,6-9,11H2,1-5H3/b12-10-.
What are the key properties of diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate?
diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate has a molecular weight of 286.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate is sourced from PubChem (CID 11161981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).