tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane

C24H46Br2O2Si2 — CID 11467352

IUPACtert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane
SMILESCC(/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=C(Br)Br)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46Br2O2Si2/c1-19(14-13-17-27-29(9,10)23(3,4)5)15-16-21(20(2)18-22(25)26)28-30(11,12)24(6,7)8/h14-16,18,20-21H,13,17H2,1-12H3/b16-15+,19-14+/t20-,21-/m1/s1
InChIKeyJHEAOBHAVVJMIE-HKSWRZQQSA-N
MW582.61 g/mol
LogP9.56
Rot. Bonds10

About tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane

tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane (PubChem CID 11467352) has the molecular formula C24H46Br2O2Si2 and a molecular weight of 582.61 g/mol. Its IUPAC name is tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane
PubChem CID11467352
Molecular FormulaC24H46Br2O2Si2
Molecular Weight582.61 g/mol
Exact Mass580.14
IUPAC Nametert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane
SMILESCC(/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=C(Br)Br)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46Br2O2Si2/c1-19(14-13-17-27-29(9,10)23(3,4)5)15-16-21(20(2)18-22(25)26)28-30(11,12)24(6,7)8/h14-16,18,20-21H,13,17H2,1-12H3/b16-15+,19-14+/t20-,21-/m1/s1
InChIKeyJHEAOBHAVVJMIE-HKSWRZQQSA-N
XLogP9.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.61
LogP ≤ 59.56
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane (CID 11467352) is tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane is CC(/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=C(Br)Br)=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane?
The InChIKey is JHEAOBHAVVJMIE-HKSWRZQQSA-N. The full InChI is InChI=1S/C24H46Br2O2Si2/c1-19(14-13-17-27-29(9,10)23(3,4)5)15-16-21(20(2)18-22(25)26)28-30(11,12)24(6,7)8/h14-16,18,20-21H,13,17H2,1-12H3/b16-15+,19-14+/t20-,21-/m1/s1.
What are the key properties of tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane?
tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane has a molecular weight of 582.61 g/mol, XLogP of 9.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E,5E,7R,8R)-10,10-dibromo-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-3,5,9-trienoxy]-dimethylsilane is sourced from PubChem (CID 11467352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).