diethyl (E)-4-trimethylsilyloxyhept-3-enedioate

C14H26O5Si — CID 11722472

IUPACdiethyl (E)-4-trimethylsilyloxyhept-3-enedioate
SMILESCCOC(=O)C/C=C(\CCC(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C14H26O5Si/c1-6-17-13(15)10-8-12(19-20(3,4)5)9-11-14(16)18-7-2/h8H,6-7,9-11H2,1-5H3/b12-8+
InChIKeyKUOKPLKEJXIFTE-XYOKQWHBSA-N
MW302.44 g/mol
LogP3.02
Rot. Bonds9

About diethyl (E)-4-trimethylsilyloxyhept-3-enedioate

diethyl (E)-4-trimethylsilyloxyhept-3-enedioate (PubChem CID 11722472) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is diethyl (E)-4-trimethylsilyloxyhept-3-enedioate.

Molecular Properties

Compound Namediethyl (E)-4-trimethylsilyloxyhept-3-enedioate
PubChem CID11722472
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Namediethyl (E)-4-trimethylsilyloxyhept-3-enedioate
SMILESCCOC(=O)C/C=C(\CCC(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C14H26O5Si/c1-6-17-13(15)10-8-12(19-20(3,4)5)9-11-14(16)18-7-2/h8H,6-7,9-11H2,1-5H3/b12-8+
InChIKeyKUOKPLKEJXIFTE-XYOKQWHBSA-N
XLogP3.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl (E)-4-trimethylsilyloxyhept-3-enedioate?
The IUPAC name of diethyl (E)-4-trimethylsilyloxyhept-3-enedioate (CID 11722472) is diethyl (E)-4-trimethylsilyloxyhept-3-enedioate.
What is the SMILES notation for diethyl (E)-4-trimethylsilyloxyhept-3-enedioate?
The canonical SMILES for diethyl (E)-4-trimethylsilyloxyhept-3-enedioate is CCOC(=O)C/C=C(\CCC(=O)OCC)O[Si](C)(C)C.
What is the InChIKey of diethyl (E)-4-trimethylsilyloxyhept-3-enedioate?
The InChIKey is KUOKPLKEJXIFTE-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-6-17-13(15)10-8-12(19-20(3,4)5)9-11-14(16)18-7-2/h8H,6-7,9-11H2,1-5H3/b12-8+.
What are the key properties of diethyl (E)-4-trimethylsilyloxyhept-3-enedioate?
diethyl (E)-4-trimethylsilyloxyhept-3-enedioate has a molecular weight of 302.44 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (E)-4-trimethylsilyloxyhept-3-enedioate is sourced from PubChem (CID 11722472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).