[tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate

C22H46O4Si2 — CID 134947614

IUPAC[tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate
SMILESCCOCCOCCC/C(=C\C[Si](C)(C)C)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O4Si2/c1-10-24-17-18-25-16-11-12-20(15-19-27(5,6)7)13-14-21(23)26-28(8,9)22(2,3)4/h15H,10-14,16-19H2,1-9H3/b20-15+
InChIKeyIZMMJXBHWWPYDE-HMMYKYKNSA-N
MW430.78 g/mol
LogP6.41
Rot. Bonds14

About [tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate

[tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate (PubChem CID 134947614) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate
PubChem CID134947614
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Name[tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate
SMILESCCOCCOCCC/C(=C\C[Si](C)(C)C)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O4Si2/c1-10-24-17-18-25-16-11-12-20(15-19-27(5,6)7)13-14-21(23)26-28(8,9)22(2,3)4/h15H,10-14,16-19H2,1-9H3/b20-15+
InChIKeyIZMMJXBHWWPYDE-HMMYKYKNSA-N
XLogP6.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 [tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate (CID 134947614) is [tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate is CCOCCOCCC/C(=C\C[Si](C)(C)C)CCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate?
The InChIKey is IZMMJXBHWWPYDE-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-10-24-17-18-25-16-11-12-20(15-19-27(5,6)7)13-14-21(23)26-28(8,9)22(2,3)4/h15H,10-14,16-19H2,1-9H3/b20-15+.
What are the key properties of [tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate?
[tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate has a molecular weight of 430.78 g/mol, XLogP of 6.41, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (4E)-7-(2-ethoxyethoxy)-4-(2-trimethylsilylethylidene)heptanoate is sourced from PubChem (CID 134947614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).