tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane

C29H54O2Si2 — CID 11329343

IUPACtert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane
SMILESCCCCCCC[C@@H](/C=C/C#CC#CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H54O2Si2/c1-12-13-14-18-21-24-27(31-33(10,11)29(5,6)7)25-22-19-16-15-17-20-23-26-30-32(8,9)28(2,3)4/h22,25,27H,12-14,18,20-21,23-24,26H2,1-11H3/b25-22+/t27-/m0/s1
InChIKeyKWOVFWWCXDMXAA-ZMKYDZQFSA-N
MW490.92 g/mol
LogP9.10
Rot. Bonds13

About tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane

tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane (PubChem CID 11329343) has the molecular formula C29H54O2Si2 and a molecular weight of 490.92 g/mol. Its IUPAC name is tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane
PubChem CID11329343
Molecular FormulaC29H54O2Si2
Molecular Weight490.92 g/mol
Exact Mass490.37
IUPAC Nametert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane
SMILESCCCCCCC[C@@H](/C=C/C#CC#CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H54O2Si2/c1-12-13-14-18-21-24-27(31-33(10,11)29(5,6)7)25-22-19-16-15-17-20-23-26-30-32(8,9)28(2,3)4/h22,25,27H,12-14,18,20-21,23-24,26H2,1-11H3/b25-22+/t27-/m0/s1
InChIKeyKWOVFWWCXDMXAA-ZMKYDZQFSA-N
XLogP9.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.92
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
CID 134977934
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
Silane, dimethyl(dimethyl(undec-2-enyloxy)silyloxy)heptyloxy-
CID 91720803
Silane, dimethyl(dodec-2-enyloxy)heptyloxy-
CID 91736539
Silane, dimethyl(dimethyl(undec-2-enyloxy)silyloxy)hexyloxy-
CID 91737007
Silane, dimethyl(undec-2-enyloxy)octyloxy-
CID 91738026
Silane, dimethyl(dodec-2-enyloxy)octyloxy-
CID 91738080
Silane, dimethyl(oct-3-en-2-yloxy)octyloxy-
CID 91739055
Silane, dimethyl(undec-2-enyloxy)nonyloxy-
CID 91739056
Silane, dimethyl(dodec-2-enyloxy)nonyloxy-
CID 91739057
Silane, dimethyl(undec-2-enyloxy)decyloxy-
CID 91740144
Silane, dimethyl(oct-3-en-2-yloxy)decyloxy-
CID 91740946

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane (CID 11329343) is tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane is CCCCCCC[C@@H](/C=C/C#CC#CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane?
The InChIKey is KWOVFWWCXDMXAA-ZMKYDZQFSA-N. The full InChI is InChI=1S/C29H54O2Si2/c1-12-13-14-18-21-24-27(31-33(10,11)29(5,6)7)25-22-19-16-15-17-20-23-26-30-32(8,9)28(2,3)4/h22,25,27H,12-14,18,20-21,23-24,26H2,1-11H3/b25-22+/t27-/m0/s1.
What are the key properties of tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane?
tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane has a molecular weight of 490.92 g/mol, XLogP of 9.10, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,10S)-10-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-4,6-diynoxy]-dimethylsilane is sourced from PubChem (CID 11329343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).