[(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane

C50H64Cl2Si4 — CID 102420798

IUPAC[(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane
SMILESCC(C)(C)[Si](/C(C#CC#C/C(=C(\Cl)CC[Si](C)(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(/Cl)CC[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H64Cl2Si4/c1-49(2,3)55(41-27-17-13-18-28-41,42-29-19-14-20-30-42)47(45(51)37-39-53(7,8)9)35-25-26-36-48(46(52)38-40-54(10,11)12)56(50(4,5)6,43-31-21-15-22-32-43)44-33-23-16-24-34-44/h13-24,27-34H,37-40H2,1-12H3/b47-45+,48-46+
InChIKeyPFJIHILFHSWGQV-MLGMXDONSA-N
MW848.31 g/mol
LogP12.64
Rot. Bonds12

About [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane

[(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane (PubChem CID 102420798) has the molecular formula C50H64Cl2Si4 and a molecular weight of 848.31 g/mol. Its IUPAC name is [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane
PubChem CID102420798
Molecular FormulaC50H64Cl2Si4
Molecular Weight848.31 g/mol
Exact Mass846.35
IUPAC Name[(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane
SMILESCC(C)(C)[Si](/C(C#CC#C/C(=C(\Cl)CC[Si](C)(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(/Cl)CC[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H64Cl2Si4/c1-49(2,3)55(41-27-17-13-18-28-41,42-29-19-14-20-30-42)47(45(51)37-39-53(7,8)9)35-25-26-36-48(46(52)38-40-54(10,11)12)56(50(4,5)6,43-31-21-15-22-32-43)44-33-23-16-24-34-44/h13-24,27-34H,37-40H2,1-12H3/b47-45+,48-46+
InChIKeyPFJIHILFHSWGQV-MLGMXDONSA-N
XLogP12.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.31
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol
CID 6312841
1-[dimethyl(phenyl)silyl]-3-trimethylsilylpropan-1-one
CID 101379873
(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol
CID 140511957
tert-butyl-hex-1-en-2-yl-diphenylsilane
CID 10314087
1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
CID 86211351
5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol
CID 11121676
tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane
CID 11210438
4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
CID 13211512
1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
CID 11472623
1-(tert-butyl-methyl-phenylsilyl)ethanol
CID 14898793
4-[dimethyl(phenyl)silyl]-2-methylbutan-2-ol
CID 14066704
dimethyl-[methyl(diphenyl)silyl]-(2-trimethylsilylethyl)silane
CID 22950751

Frequently Asked Questions

What is the IUPAC name of [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane?
The IUPAC name of [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane (CID 102420798) is [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane.
What is the SMILES notation for [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane?
The canonical SMILES for [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane is CC(C)(C)[Si](/C(C#CC#C/C(=C(\Cl)CC[Si](C)(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(/Cl)CC[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane?
The InChIKey is PFJIHILFHSWGQV-MLGMXDONSA-N. The full InChI is InChI=1S/C50H64Cl2Si4/c1-49(2,3)55(41-27-17-13-18-28-41,42-29-19-14-20-30-42)47(45(51)37-39-53(7,8)9)35-25-26-36-48(46(52)38-40-54(10,11)12)56(50(4,5)6,43-31-21-15-22-32-43)44-33-23-16-24-34-44/h13-24,27-34H,37-40H2,1-12H3/b47-45+,48-46+.
What are the key properties of [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane?
[(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane has a molecular weight of 848.31 g/mol, XLogP of 12.64, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane is sourced from PubChem (CID 102420798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).