tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane

C26H40OSi2 — CID 11201083

IUPACtert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane
SMILESCc1ccc(C(C/C=C/C[Si](C)(C)c2ccccc2)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C26H40OSi2/c1-22-17-19-23(20-18-22)25(27-29(7,8)26(2,3)4)16-12-13-21-28(5,6)24-14-10-9-11-15-24/h9-15,17-20,25H,16,21H2,1-8H3/b13-12+
InChIKeyLLBVOZGLVROWJR-OUKQBFOZSA-N
MW424.78 g/mol
LogP7.62
Rot. Bonds8

About tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane

tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane (PubChem CID 11201083) has the molecular formula C26H40OSi2 and a molecular weight of 424.78 g/mol. Its IUPAC name is tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane
PubChem CID11201083
Molecular FormulaC26H40OSi2
Molecular Weight424.78 g/mol
Exact Mass424.26
IUPAC Nametert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane
SMILESCc1ccc(C(C/C=C/C[Si](C)(C)c2ccccc2)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C26H40OSi2/c1-22-17-19-23(20-18-22)25(27-29(7,8)26(2,3)4)16-12-13-21-28(5,6)24-14-10-9-11-15-24/h9-15,17-20,25H,16,21H2,1-8H3/b13-12+
InChIKeyLLBVOZGLVROWJR-OUKQBFOZSA-N
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.78
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, triethyl(phenylmethoxy)-
CID 563229
Silane, trimethyl(1-phenylethoxy)-
CID 519015
1,2-Ethanediol, phenyl, bis-TMS
CID 530367
1-Propanol, 1-phenyl, TMS
CID 530376
Silane, (1,1-dimethylethyl)dimethyl(phenylmethoxy)-
CID 596642
tert-Butyl-[2-(tertbutyldimethylsilyl)oxy-1-phenylethoxy]dimethylsilane
CID 11100658
Trimethyl[(4-methylphenyl)methoxy]silane
CID 13063937
4-Methylbenzyl alcohol, tert-butyldimethylsilyl ether
CID 21304531
Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
4-(Trimethylsilyl)benzhydrol
CID 3551384
1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol
CID 72547002
Di-t-butyl(4-((t-butyldimethylsilyloxy)methyl)phenyl)fluorosilane
CID 154663812

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane (CID 11201083) is tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane is Cc1ccc(C(C/C=C/C[Si](C)(C)c2ccccc2)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane?
The InChIKey is LLBVOZGLVROWJR-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H40OSi2/c1-22-17-19-23(20-18-22)25(27-29(7,8)26(2,3)4)16-12-13-21-28(5,6)24-14-10-9-11-15-24/h9-15,17-20,25H,16,21H2,1-8H3/b13-12+.
What are the key properties of tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane?
tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane has a molecular weight of 424.78 g/mol, XLogP of 7.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane is sourced from PubChem (CID 11201083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).