bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)

C54H82Br4Cl2Si2Zr — CID 162280943

IUPACbis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCC(C)C1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C(C)C)=Cc2c(Br)cccc21.CC(C)C1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C(C)C)CC2C(Br)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C26H46Br2Si.C26H30Br2Si.2CH3.2ClH.Zr/c2*1-15(2)19-13-21-17(9-7-11-23(21)27)25(19)29(5,6)26-18-10-8-12-24(28)22(18)14-20(26)16(3)4;;;;;/h15-26H,7-14H2,1-6H3;7-16,25-26H,1-6H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
InChIKeyHURQUUZGBDJNIH-UHFFFAOYSA-L
MW1269.17 g/mol
LogP20.40
Rot. Bonds8

About bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)

bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162280943) has the molecular formula C54H82Br4Cl2Si2Zr and a molecular weight of 1269.17 g/mol. Its IUPAC name is bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Namebis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
PubChem CID162280943
Molecular FormulaC54H82Br4Cl2Si2Zr
Molecular Weight1269.17 g/mol
Exact Mass1262.11
IUPAC Namebis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCC(C)C1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C(C)C)=Cc2c(Br)cccc21.CC(C)C1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C(C)C)CC2C(Br)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C26H46Br2Si.C26H30Br2Si.2CH3.2ClH.Zr/c2*1-15(2)19-13-21-17(9-7-11-23(21)27)25(19)29(5,6)26-18-10-8-12-24(28)22(18)14-20(26)16(3)4;;;;;/h15-26H,7-14H2,1-6H3;7-16,25-26H,1-6H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
InChIKeyHURQUUZGBDJNIH-UHFFFAOYSA-L
XLogP20.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001269.17
LogP ≤ 520.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The IUPAC name of bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 162280943) is bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) is CC(C)C1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C(C)C)=Cc2c(Br)cccc21.CC(C)C1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C(C)C)CC2C(Br)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The InChIKey is HURQUUZGBDJNIH-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H46Br2Si.C26H30Br2Si.2CH3.2ClH.Zr/c2*1-15(2)19-13-21-17(9-7-11-23(21)27)25(19)29(5,6)26-18-10-8-12-24(28)22(18)14-20(26)16(3)4;;;;;/h15-26H,7-14H2,1-6H3;7-16,25-26H,1-6H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2.
What are the key properties of bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 1269.17 g/mol, XLogP of 20.40, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-propan-2-yl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162280943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).