tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane

C16H19Br2ClOSi — CID 11270883

IUPACtert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc2c(Cl)cc(Br)cc2cc1Br
InChIInChI=1S/C16H19Br2ClOSi/c1-16(2,3)21(4,5)20-15-9-12-10(7-13(15)18)6-11(17)8-14(12)19/h6-9H,1-5H3
InChIKeyADBNMUAXSPOANR-UHFFFAOYSA-N
MW450.67 g/mol
LogP7.40
Rot. Bonds2

About tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane

tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane (PubChem CID 11270883) has the molecular formula C16H19Br2ClOSi and a molecular weight of 450.67 g/mol. Its IUPAC name is tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane
PubChem CID11270883
Molecular FormulaC16H19Br2ClOSi
Molecular Weight450.67 g/mol
Exact Mass447.93
IUPAC Nametert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc2c(Cl)cc(Br)cc2cc1Br
InChIInChI=1S/C16H19Br2ClOSi/c1-16(2,3)21(4,5)20-15-9-12-10(7-13(15)18)6-11(17)8-14(12)19/h6-9H,1-5H3
InChIKeyADBNMUAXSPOANR-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane (CID 11270883) is tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cc2c(Cl)cc(Br)cc2cc1Br.
What is the InChIKey of tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane?
The InChIKey is ADBNMUAXSPOANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2ClOSi/c1-16(2,3)21(4,5)20-15-9-12-10(7-13(15)18)6-11(17)8-14(12)19/h6-9H,1-5H3.
What are the key properties of tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane?
tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane has a molecular weight of 450.67 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,6-dibromo-8-chloronaphthalen-2-yl)oxy-dimethylsilane is sourced from PubChem (CID 11270883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).