diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate

C15H28O4Si — CID 10614190

IUPACdiethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(C)/C=C/C[Si](C)(C)C
InChIInChI=1S/C15H28O4Si/c1-7-18-14(16)13(15(17)19-8-2)12(3)10-9-11-20(4,5)6/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+
InChIKeyMEDXMKJXCFVPCA-MDZDMXLPSA-N
MW300.47 g/mol
LogP3.26
Rot. Bonds8

About diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate

diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate (PubChem CID 10614190) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate
PubChem CID10614190
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namediethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(C)/C=C/C[Si](C)(C)C
InChIInChI=1S/C15H28O4Si/c1-7-18-14(16)13(15(17)19-8-2)12(3)10-9-11-20(4,5)6/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+
InChIKeyMEDXMKJXCFVPCA-MDZDMXLPSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.26
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-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate?
The IUPAC name of diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate (CID 10614190) is diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate.
What is the SMILES notation for diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate?
The canonical SMILES for diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate is CCOC(=O)C(C(=O)OCC)C(C)/C=C/C[Si](C)(C)C.
What is the InChIKey of diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate?
The InChIKey is MEDXMKJXCFVPCA-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-7-18-14(16)13(15(17)19-8-2)12(3)10-9-11-20(4,5)6/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+.
What are the key properties of diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate?
diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate has a molecular weight of 300.47 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(E)-5-trimethylsilylpent-3-en-2-yl]propanedioate is sourced from PubChem (CID 10614190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).