ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride

C30H33Cl2OSiZr- — CID 87936336

IUPACethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride
SMILESCC(CC1=Cc2ccccc2C1c1cccc2c1[cH-]c1ccccc12)O[Si](C)(C)C.CC=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C28H29OSi.C2H4.2ClH.Zr/c1-19(29-30(2,3)4)16-22-17-20-10-6-8-13-24(20)28(22)26-15-9-14-25-23-12-7-5-11-21(23)18-27(25)26;1-2;;;/h5-15,17-19,28H,16H2,1-4H3;1H,2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyWMTDUTJYFZNMGA-UHFFFAOYSA-L
MW599.81 g/mol
LogP2.23
Rot. Bonds5

About ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride

ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride (PubChem CID 87936336) has the molecular formula C30H33Cl2OSiZr- and a molecular weight of 599.81 g/mol. Its IUPAC name is ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride.

Molecular Properties

Compound Nameethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride
PubChem CID87936336
Molecular FormulaC30H33Cl2OSiZr-
Molecular Weight599.81 g/mol
Exact Mass597.07
IUPAC Nameethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride
SMILESCC(CC1=Cc2ccccc2C1c1cccc2c1[cH-]c1ccccc12)O[Si](C)(C)C.CC=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C28H29OSi.C2H4.2ClH.Zr/c1-19(29-30(2,3)4)16-22-17-20-10-6-8-13-24(20)28(22)26-15-9-14-25-23-12-7-5-11-21(23)18-27(25)26;1-2;;;/h5-15,17-19,28H,16H2,1-4H3;1H,2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyWMTDUTJYFZNMGA-UHFFFAOYSA-L
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.81
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride?
The IUPAC name of ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride (CID 87936336) is ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride.
What is the SMILES notation for ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride?
The canonical SMILES for ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride is CC(CC1=Cc2ccccc2C1c1cccc2c1[cH-]c1ccccc12)O[Si](C)(C)C.CC=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride?
The InChIKey is WMTDUTJYFZNMGA-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H29OSi.C2H4.2ClH.Zr/c1-19(29-30(2,3)4)16-22-17-20-10-6-8-13-24(20)28(22)26-15-9-14-25-23-12-7-5-11-21(23)18-27(25)26;1-2;;;/h5-15,17-19,28H,16H2,1-4H3;1H,2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride?
ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride has a molecular weight of 599.81 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride is sourced from PubChem (CID 87936336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).