tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane

C20H36Br2O2Si2 — CID 67931117

IUPACtert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CC1C=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C1(Br)Br
InChIInChI=1S/C20H36Br2O2Si2/c1-12-15-13-14-16(23-25(8,9)18(2,3)4)17(20(15,21)22)24-26(10,11)19(5,6)7/h12-15H,1H2,2-11H3
InChIKeyAFQNJSUMPUFADW-UHFFFAOYSA-N
MW524.49 g/mol
LogP8.10
Rot. Bonds5

About tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane

tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (PubChem CID 67931117) has the molecular formula C20H36Br2O2Si2 and a molecular weight of 524.49 g/mol. Its IUPAC name is tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
PubChem CID67931117
Molecular FormulaC20H36Br2O2Si2
Molecular Weight524.49 g/mol
Exact Mass522.06
IUPAC Nametert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CC1C=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C1(Br)Br
InChIInChI=1S/C20H36Br2O2Si2/c1-12-15-13-14-16(23-25(8,9)18(2,3)4)17(20(15,21)22)24-26(10,11)19(5,6)7/h12-15H,1H2,2-11H3
InChIKeyAFQNJSUMPUFADW-UHFFFAOYSA-N
XLogP8.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.49
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (CID 67931117) is tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is C=CC1C=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C1(Br)Br.
What is the InChIKey of tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The InChIKey is AFQNJSUMPUFADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36Br2O2Si2/c1-12-15-13-14-16(23-25(8,9)18(2,3)4)17(20(15,21)22)24-26(10,11)19(5,6)7/h12-15H,1H2,2-11H3.
What are the key properties of tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane has a molecular weight of 524.49 g/mol, XLogP of 8.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 67931117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).