tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane

C40H50O2Si2 — CID 56968344

IUPACtert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC/C=C/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H50O2Si2/c1-39(2,3)43(35-25-15-11-16-26-35,36-27-17-12-18-28-36)41-33-23-9-7-8-10-24-34-42-44(40(4,5)6,37-29-19-13-20-30-37)38-31-21-14-22-32-38/h7-22,25-32H,23-24,33-34H2,1-6H3/b9-7+,10-8+
InChIKeyNLXKQWKZIKXROI-FIFLTTCUSA-N
MW619.01 g/mol
LogP8.03
Rot. Bonds13

About tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane

tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane (PubChem CID 56968344) has the molecular formula C40H50O2Si2 and a molecular weight of 619.01 g/mol. Its IUPAC name is tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane
PubChem CID56968344
Molecular FormulaC40H50O2Si2
Molecular Weight619.01 g/mol
Exact Mass618.33
IUPAC Nametert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC/C=C/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H50O2Si2/c1-39(2,3)43(35-25-15-11-16-26-35,36-27-17-12-18-28-36)41-33-23-9-7-8-10-24-34-42-44(40(4,5)6,37-29-19-13-20-30-37)38-31-21-14-22-32-38/h7-22,25-32H,23-24,33-34H2,1-6H3/b9-7+,10-8+
InChIKeyNLXKQWKZIKXROI-FIFLTTCUSA-N
XLogP8.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.01
LogP ≤ 58.03
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Hexaphenylcyclotrisiloxane
CID 68187
2,4,6,8-Tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane
CID 6487
Tetraphenyl dimethyl disiloxane
CID 13121
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Trimethyl pentaphenyl trisiloxane
CID 76925
1,3,3,5-Tetramethyl-1,1,5,5-tetraphenyltrisiloxane
CID 19882
Tetramethyl hexaphenyl tetrasiloxane
CID 38026
Disiloxane, 1,1,1,3,3,3-hexaphenyl-
CID 74587
1,1,3,3-Tetraphenyl-1,3-disiloxanediol
CID 517941
2,2,4,4-Tetramethyl-6,6,8,8-tetraphenylcyclotetrasiloxane
CID 519339
1,3-Dimethoxy-1,1,3,3-tetraphenyldisiloxane
CID 21903287
1,3,3,5,5,7-Hexamethyl-1,1,7,7-tetraphenyltetrasiloxane
CID 81324

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane (CID 56968344) is tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane is CC(C)(C)[Si](OCC/C=C/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane?
The InChIKey is NLXKQWKZIKXROI-FIFLTTCUSA-N. The full InChI is InChI=1S/C40H50O2Si2/c1-39(2,3)43(35-25-15-11-16-26-35,36-27-17-12-18-28-36)41-33-23-9-7-8-10-24-34-42-44(40(4,5)6,37-29-19-13-20-30-37)38-31-21-14-22-32-38/h7-22,25-32H,23-24,33-34H2,1-6H3/b9-7+,10-8+.
What are the key properties of tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane?
tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane has a molecular weight of 619.01 g/mol, XLogP of 8.03, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane is sourced from PubChem (CID 56968344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).