tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane

C19H38O4Si — CID 11078856

IUPACtert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane
SMILESCOCCOCOC/C=C/C=C/C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-18(2,3)24(7,8)23-16-19(4,5)12-10-9-11-13-21-17-22-15-14-20-6/h9-12H,13-17H2,1-8H3/b11-9+,12-10+
InChIKeySJDGGMRGKUBOFF-WGDLNXRISA-N
MW358.60 g/mol
LogP4.78
Rot. Bonds12

About tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane

tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane (PubChem CID 11078856) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane
PubChem CID11078856
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Nametert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane
SMILESCOCCOCOC/C=C/C=C/C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-18(2,3)24(7,8)23-16-19(4,5)12-10-9-11-13-21-17-22-15-14-20-6/h9-12H,13-17H2,1-8H3/b11-9+,12-10+
InChIKeySJDGGMRGKUBOFF-WGDLNXRISA-N
XLogP4.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.78
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane (CID 11078856) is tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane is COCCOCOC/C=C/C=C/C(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane?
The InChIKey is SJDGGMRGKUBOFF-WGDLNXRISA-N. The full InChI is InChI=1S/C19H38O4Si/c1-18(2,3)24(7,8)23-16-19(4,5)12-10-9-11-13-21-17-22-15-14-20-6/h9-12H,13-17H2,1-8H3/b11-9+,12-10+.
What are the key properties of tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane?
tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane has a molecular weight of 358.60 g/mol, XLogP of 4.78, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane is sourced from PubChem (CID 11078856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).