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

C46H66Br4Cl2Si2Zr — CID 162286300

IUPACbis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C)CC2C(Br)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C22H38Br2Si.C22H22Br2Si.2CH3.2ClH.Zr/c2*1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24;;;;;/h13-22H,5-12H2,1-4H3;5-12,21-22H,1-4H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
InChIKeyQBEKCJJEHHHPOZ-UHFFFAOYSA-L
MW1156.95 g/mol
LogP17.85
Rot. Bonds4

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

bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162286300) has the molecular formula C46H66Br4Cl2Si2Zr and a molecular weight of 1156.95 g/mol. Its IUPAC name is bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Namebis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
PubChem CID162286300
Molecular FormulaC46H66Br4Cl2Si2Zr
Molecular Weight1156.95 g/mol
Exact Mass1149.99
IUPAC Namebis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C)CC2C(Br)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C22H38Br2Si.C22H22Br2Si.2CH3.2ClH.Zr/c2*1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24;;;;;/h13-22H,5-12H2,1-4H3;5-12,21-22H,1-4H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
InChIKeyQBEKCJJEHHHPOZ-UHFFFAOYSA-L
XLogP17.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001156.95
LogP ≤ 517.85
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-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The IUPAC name of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 162286300) is bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) is CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C)CC2C(Br)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The InChIKey is QBEKCJJEHHHPOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H38Br2Si.C22H22Br2Si.2CH3.2ClH.Zr/c2*1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24;;;;;/h13-22H,5-12H2,1-4H3;5-12,21-22H,1-4H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2.
What are the key properties of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 1156.95 g/mol, XLogP of 17.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162286300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).