tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane

C19H36O3Si — CID 134880484

IUPACtert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane
SMILESCO/C(=C\OC/C=C(\C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-16(2)11-10-12-17(3)13-14-21-15-18(20-7)22-23(8,9)19(4,5)6/h11,13,15H,10,12,14H2,1-9H3/b17-13+,18-15+
InChIKeyPSESJXXXCMZIOT-YUIMGRLZSA-N
MW340.58 g/mol
LogP6.16
Rot. Bonds9

About tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane

tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane (PubChem CID 134880484) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane
PubChem CID134880484
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Nametert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane
SMILESCO/C(=C\OC/C=C(\C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-16(2)11-10-12-17(3)13-14-21-15-18(20-7)22-23(8,9)19(4,5)6/h11,13,15H,10,12,14H2,1-9H3/b17-13+,18-15+
InChIKeyPSESJXXXCMZIOT-YUIMGRLZSA-N
XLogP6.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
bis([(2Z)-3,7-Dimethylocta-2,6-dien-1-yl]oxy)(dimethyl)silane
CID 91697237
tert-butyl-[(1S,2S)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
CID 10527623
tert-butyl-[(1S,2R)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
CID 10551589
[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11472396
[1-Ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane
CID 24949364
tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane
CID 134840408

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane (CID 134880484) is tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane is CO/C(=C\OC/C=C(\C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane?
The InChIKey is PSESJXXXCMZIOT-YUIMGRLZSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-16(2)11-10-12-17(3)13-14-21-15-18(20-7)22-23(8,9)19(4,5)6/h11,13,15H,10,12,14H2,1-9H3/b17-13+,18-15+.
What are the key properties of tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane?
tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane has a molecular weight of 340.58 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane is sourced from PubChem (CID 134880484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).