tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane

C44H58O2Si2 — CID 11858510

IUPACtert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC/C=C/CC/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H58O2Si2/c1-43(2,3)47(39-29-19-15-20-30-39,40-31-21-16-22-32-40)45-37-27-13-11-9-7-8-10-12-14-28-38-46-48(44(4,5)6,41-33-23-17-24-34-41)42-35-25-18-26-36-42/h9-12,15-26,29-36H,7-8,13-14,27-28,37-38H2,1-6H3/b11-9+,12-10+
InChIKeyLUQKJNMNMPJSGA-WGDLNXRISA-N
MW675.12 g/mol
LogP9.59
Rot. Bonds17

About tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane

tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane (PubChem CID 11858510) has the molecular formula C44H58O2Si2 and a molecular weight of 675.12 g/mol. Its IUPAC name is tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane
PubChem CID11858510
Molecular FormulaC44H58O2Si2
Molecular Weight675.12 g/mol
Exact Mass674.40
IUPAC Nametert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC/C=C/CC/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H58O2Si2/c1-43(2,3)47(39-29-19-15-20-30-39,40-31-21-16-22-32-40)45-37-27-13-11-9-7-8-10-12-14-28-38-46-48(44(4,5)6,41-33-23-17-24-34-41)42-35-25-18-26-36-42/h9-12,15-26,29-36H,7-8,13-14,27-28,37-38H2,1-6H3/b11-9+,12-10+
InChIKeyLUQKJNMNMPJSGA-WGDLNXRISA-N
XLogP9.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.12
LogP ≤ 59.59
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': 'isolated_alkene', '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-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane (CID 11858510) is tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane is CC(C)(C)[Si](OCCC/C=C/CC/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane?
The InChIKey is LUQKJNMNMPJSGA-WGDLNXRISA-N. The full InChI is InChI=1S/C44H58O2Si2/c1-43(2,3)47(39-29-19-15-20-30-39,40-31-21-16-22-32-40)45-37-27-13-11-9-7-8-10-12-14-28-38-46-48(44(4,5)6,41-33-23-17-24-34-41)42-35-25-18-26-36-42/h9-12,15-26,29-36H,7-8,13-14,27-28,37-38H2,1-6H3/b11-9+,12-10+.
What are the key properties of tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane?
tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane has a molecular weight of 675.12 g/mol, XLogP of 9.59, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane is sourced from PubChem (CID 11858510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).