ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride

C25H29Cl2O2SiZr- — CID 87936300

IUPACethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride
SMILESCC=[Zr+2].C[Si](C)(C)OCCOC1=Cc2ccccc2C1[c-]1ccc2ccccc21.[Cl-].[Cl-]
InChIInChI=1S/C23H25O2Si.C2H4.2ClH.Zr/c1-26(2,3)25-15-14-24-22-16-18-9-5-7-11-20(18)23(22)21-13-12-17-8-4-6-10-19(17)21;1-2;;;/h4-13,16,23H,14-15H2,1-3H3;1H,2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyJQRYMRTWTSQEFJ-UHFFFAOYSA-L
MW551.72 g/mol
LogP0.28
Rot. Bonds6

About ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride

ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride (PubChem CID 87936300) has the molecular formula C25H29Cl2O2SiZr- and a molecular weight of 551.72 g/mol. Its IUPAC name is ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride.

Molecular Properties

Compound Nameethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride
PubChem CID87936300
Molecular FormulaC25H29Cl2O2SiZr-
Molecular Weight551.72 g/mol
Exact Mass549.04
IUPAC Nameethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride
SMILESCC=[Zr+2].C[Si](C)(C)OCCOC1=Cc2ccccc2C1[c-]1ccc2ccccc21.[Cl-].[Cl-]
InChIInChI=1S/C23H25O2Si.C2H4.2ClH.Zr/c1-26(2,3)25-15-14-24-22-16-18-9-5-7-11-20(18)23(22)21-13-12-17-8-4-6-10-19(17)21;1-2;;;/h4-13,16,23H,14-15H2,1-3H3;1H,2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyJQRYMRTWTSQEFJ-UHFFFAOYSA-L
XLogP0.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.72
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(1-methoxypropan-2-yloxymethyl)-9H-fluorene
CID 71175010
[3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride
CID 87438413
CID 87935781
CID 87935781
2-[[1-(2-ethylidene-9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;zirconium(3+);dichloride
CID 87935795
ethylidenezirconium(2+);2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;dichloride
CID 87935799
(3-inden-1-id-1-yl-2-methoxy-3H-inden-1-yl)oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
CID 87935821
ethylidenezirconium(2+);2-(1-inden-1-id-1-yl-1H-inden-2-yl)ethoxy-trimethylsilane;dichloride
CID 87935832
Cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride
CID 87935838
trimethyl-[2-[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride
CID 87935842
(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 87935845
1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87935849
trimethyl-[2-[[1-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy]silane;zirconium(3+);dichloride
CID 87935864

Frequently Asked Questions

What is the IUPAC name of ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride?
The IUPAC name of ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride (CID 87936300) is ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride.
What is the SMILES notation for ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride?
The canonical SMILES for ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride is CC=[Zr+2].C[Si](C)(C)OCCOC1=Cc2ccccc2C1[c-]1ccc2ccccc21.[Cl-].[Cl-].
What is the InChIKey of ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride?
The InChIKey is JQRYMRTWTSQEFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H25O2Si.C2H4.2ClH.Zr/c1-26(2,3)25-15-14-24-22-16-18-9-5-7-11-20(18)23(22)21-13-12-17-8-4-6-10-19(17)21;1-2;;;/h4-13,16,23H,14-15H2,1-3H3;1H,2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride?
ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride has a molecular weight of 551.72 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride is sourced from PubChem (CID 87936300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).