bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane

C70H110Br4Cl4Si4Zr2-2 — CID 162283701

IUPACbis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane
SMILESCC.CC.C[Si](C)(C1C=CC=C1)C1C=Cc2c(Br)cccc21.C[Si](C)(C1C=CC=C1)C1C=Cc2c(Br)cccc21.C[Si](C)(C1CCCC1)C1CCC2C(Br)CCCC21.C[Si](C)(C1CCCC1)C1CCC2C(Br)CCCC21.Cl[Zr]Cl.Cl[Zr]Cl.[CH3-].[CH3-]
InChIInChI=1S/2C16H29BrSi.2C16H17BrSi.2C2H6.2CH3.4ClH.2Zr/c4*1-18(2,12-6-3-4-7-12)16-11-10-13-14(16)8-5-9-15(13)17;2*1-2;;;;;;;;/h2*12-16H,3-11H2,1-2H3;2*3-12,16H,1-2H3;2*1-2H3;2*1H3;4*1H;;/q;;;;;;2*-1;;;;;2*+2/p-4
InChIKeyCWNHXTJCAOZVJF-UHFFFAOYSA-J
MW1707.87 g/mol
LogP28.28
Rot. Bonds8

About bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane

bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane (PubChem CID 162283701) has the molecular formula C70H110Br4Cl4Si4Zr2-2 and a molecular weight of 1707.87 g/mol. Its IUPAC name is bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane.

Molecular Properties

Compound Namebis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane
PubChem CID162283701
Molecular FormulaC70H110Br4Cl4Si4Zr2-2
Molecular Weight1707.87 g/mol
Exact Mass1698.13
IUPAC Namebis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane
SMILESCC.CC.C[Si](C)(C1C=CC=C1)C1C=Cc2c(Br)cccc21.C[Si](C)(C1C=CC=C1)C1C=Cc2c(Br)cccc21.C[Si](C)(C1CCCC1)C1CCC2C(Br)CCCC21.C[Si](C)(C1CCCC1)C1CCC2C(Br)CCCC21.Cl[Zr]Cl.Cl[Zr]Cl.[CH3-].[CH3-]
InChIInChI=1S/2C16H29BrSi.2C16H17BrSi.2C2H6.2CH3.4ClH.2Zr/c4*1-18(2,12-6-3-4-7-12)16-11-10-13-14(16)8-5-9-15(13)17;2*1-2;;;;;;;;/h2*12-16H,3-11H2,1-2H3;2*3-12,16H,1-2H3;2*1-2H3;2*1H3;4*1H;;/q;;;;;;2*-1;;;;;2*+2/p-4
InChIKeyCWNHXTJCAOZVJF-UHFFFAOYSA-J
XLogP28.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001707.87
LogP ≤ 528.28
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'}

Analyze bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane?
The IUPAC name of bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane (CID 162283701) is bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane.
What is the SMILES notation for bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane?
The canonical SMILES for bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane is CC.CC.C[Si](C)(C1C=CC=C1)C1C=Cc2c(Br)cccc21.C[Si](C)(C1C=CC=C1)C1C=Cc2c(Br)cccc21.C[Si](C)(C1CCCC1)C1CCC2C(Br)CCCC21.C[Si](C)(C1CCCC1)C1CCC2C(Br)CCCC21.Cl[Zr]Cl.Cl[Zr]Cl.[CH3-].[CH3-].
What is the InChIKey of bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane?
The InChIKey is CWNHXTJCAOZVJF-UHFFFAOYSA-J. The full InChI is InChI=1S/2C16H29BrSi.2C16H17BrSi.2C2H6.2CH3.4ClH.2Zr/c4*1-18(2,12-6-3-4-7-12)16-11-10-13-14(16)8-5-9-15(13)17;2*1-2;;;;;;;;/h2*12-16H,3-11H2,1-2H3;2*3-12,16H,1-2H3;2*1-2H3;2*1H3;4*1H;;/q;;;;;;2*-1;;;;;2*+2/p-4.
What are the key properties of bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane?
bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane has a molecular weight of 1707.87 g/mol, XLogP of 28.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclopentyl-dimethylsilane);bis((4-bromo-1H-inden-1-yl)-cyclopenta-2,4-dien-1-yl-dimethylsilane);carbanide;bis(dichlorozirconium);ethane is sourced from PubChem (CID 162283701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).