tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane

C28H48OSi — CID 132534360

IUPACtert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane
SMILESC=CC(CC/C=C/Cc1ccccc1CC)CCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H48OSi/c1-8-25(19-13-10-11-18-24-29-30(6,7)28(3,4)5)20-14-12-15-22-27-23-17-16-21-26(27)9-2/h8,12,15-17,21,23,25H,1,9-11,13-14,18-20,22,24H2,2-7H3/b15-12+
InChIKeyCPYYDGBRUCPQIJ-NTCAYCPXSA-N
MW428.78 g/mol
LogP8.90
Rot. Bonds15

About tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane

tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane (PubChem CID 132534360) has the molecular formula C28H48OSi and a molecular weight of 428.78 g/mol. Its IUPAC name is tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane
PubChem CID132534360
Molecular FormulaC28H48OSi
Molecular Weight428.78 g/mol
Exact Mass428.35
IUPAC Nametert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane
SMILESC=CC(CC/C=C/Cc1ccccc1CC)CCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H48OSi/c1-8-25(19-13-10-11-18-24-29-30(6,7)28(3,4)5)20-14-12-15-22-27-23-17-16-21-26(27)9-2/h8,12,15-17,21,23,25H,1,9-11,13-14,18-20,22,24H2,2-7H3/b15-12+
InChIKeyCPYYDGBRUCPQIJ-NTCAYCPXSA-N
XLogP8.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.78
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane (CID 132534360) is tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane is C=CC(CC/C=C/Cc1ccccc1CC)CCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane?
The InChIKey is CPYYDGBRUCPQIJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C28H48OSi/c1-8-25(19-13-10-11-18-24-29-30(6,7)28(3,4)5)20-14-12-15-22-27-23-17-16-21-26(27)9-2/h8,12,15-17,21,23,25H,1,9-11,13-14,18-20,22,24H2,2-7H3/b15-12+.
What are the key properties of tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane?
tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane has a molecular weight of 428.78 g/mol, XLogP of 8.90, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-7-ethenyl-12-(2-ethylphenyl)dodec-10-enoxy]-dimethylsilane is sourced from PubChem (CID 132534360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).