tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane

C17H36O3Si — CID 72946857

IUPACtert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane
SMILESCCOCCOC/C=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-7-18-15-16-19-13-11-9-8-10-12-14-20-21(5,6)17(2,3)4/h9,11H,7-8,10,12-16H2,1-6H3/b11-9+
InChIKeyDJXGPNKXTRZCHA-PKNBQFBNSA-N
MW316.56 g/mol
LogP4.79
Rot. Bonds12

About tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane

tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane (PubChem CID 72946857) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane
PubChem CID72946857
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Nametert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane
SMILESCCOCCOC/C=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-7-18-15-16-19-13-11-9-8-10-12-14-20-21(5,6)17(2,3)4/h9,11H,7-8,10,12-16H2,1-6H3/b11-9+
InChIKeyDJXGPNKXTRZCHA-PKNBQFBNSA-N
XLogP4.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

tert-butyl-[(Z)-4-methoxyoct-2-enoxy]-dimethylsilane
CID 11529167
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134887489
tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane
CID 139254024
tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10732731
tert-butyl-dimethyl-[(1S)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10803913
tert-butyl-[(3R,4S,5R,6Z)-8-[(2E)-hepta-2,6-dienoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 57586744
tert-butyl-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]-dimethylsilane
CID 57586778
Methyl-tris(2-octa-2,7-dienoxyethoxy)silane
CID 87835703
tert-butyl-[(3S,4S,5R,6Z)-8-[(2E)-hepta-2,6-dienoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 88399267

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane (CID 72946857) is tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane is CCOCCOC/C=C/CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane?
The InChIKey is DJXGPNKXTRZCHA-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-7-18-15-16-19-13-11-9-8-10-12-14-20-21(5,6)17(2,3)4/h9,11H,7-8,10,12-16H2,1-6H3/b11-9+.
What are the key properties of tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane?
tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane has a molecular weight of 316.56 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane is sourced from PubChem (CID 72946857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).