diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate

C21H32O4Si — CID 24881698

IUPACdiethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(/C=C/[Si](C)(C)C)CCc1ccccc1
InChIInChI=1S/C21H32O4Si/c1-6-24-20(22)19(21(23)25-7-2)18(15-16-26(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,15-16,18-19H,6-7,13-14H2,1-5H3/b16-15+
InChIKeyDOQALQRFRYRNLY-FOCLMDBBSA-N
MW376.57 g/mol
LogP4.41
Rot. Bonds10

About diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate

diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate (PubChem CID 24881698) has the molecular formula C21H32O4Si and a molecular weight of 376.57 g/mol. Its IUPAC name is diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate
PubChem CID24881698
Molecular FormulaC21H32O4Si
Molecular Weight376.57 g/mol
Exact Mass376.21
IUPAC Namediethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(/C=C/[Si](C)(C)C)CCc1ccccc1
InChIInChI=1S/C21H32O4Si/c1-6-24-20(22)19(21(23)25-7-2)18(15-16-26(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,15-16,18-19H,6-7,13-14H2,1-5H3/b16-15+
InChIKeyDOQALQRFRYRNLY-FOCLMDBBSA-N
XLogP4.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.41
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'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate?
The IUPAC name of diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate (CID 24881698) is diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate.
What is the SMILES notation for diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate?
The canonical SMILES for diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate is CCOC(=O)C(C(=O)OCC)C(/C=C/[Si](C)(C)C)CCc1ccccc1.
What is the InChIKey of diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate?
The InChIKey is DOQALQRFRYRNLY-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H32O4Si/c1-6-24-20(22)19(21(23)25-7-2)18(15-16-26(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,15-16,18-19H,6-7,13-14H2,1-5H3/b16-15+.
What are the key properties of diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate?
diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate has a molecular weight of 376.57 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate is sourced from PubChem (CID 24881698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).