trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride

C24H40Cl2O2Si2Zr — CID 87935981

IUPACtrimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride
SMILESCC(CC1=[C-]CC=C1C(C)C1=CC[C-]=C1CC(C)O[Si](C)(C)C)O[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C24H40O2Si2.2ClH.Zr/c1-18(25-27(4,5)6)16-21-12-10-14-23(21)20(3)24-15-11-13-22(24)17-19(2)26-28(7,8)9;;;/h14-15,18-20H,10-11,16-17H2,1-9H3;2*1H;/q-2;;;+4/p-2
InChIKeyAHKCHMXSANLERV-UHFFFAOYSA-L
MW578.88 g/mol
LogP1.01
Rot. Bonds10

About trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride

trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride (PubChem CID 87935981) has the molecular formula C24H40Cl2O2Si2Zr and a molecular weight of 578.88 g/mol. Its IUPAC name is trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride.

Molecular Properties

Compound Nametrimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride
PubChem CID87935981
Molecular FormulaC24H40Cl2O2Si2Zr
Molecular Weight578.88 g/mol
Exact Mass576.10
IUPAC Nametrimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride
SMILESCC(CC1=[C-]CC=C1C(C)C1=CC[C-]=C1CC(C)O[Si](C)(C)C)O[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C24H40O2Si2.2ClH.Zr/c1-18(25-27(4,5)6)16-21-12-10-14-23(21)20(3)24-15-11-13-22(24)17-19(2)26-28(7,8)9;;;/h14-15,18-20H,10-11,16-17H2,1-9H3;2*1H;/q-2;;;+4/p-2
InChIKeyAHKCHMXSANLERV-UHFFFAOYSA-L
XLogP1.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.88
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride?
The IUPAC name of trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride (CID 87935981) is trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride.
What is the SMILES notation for trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride?
The canonical SMILES for trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride is CC(CC1=[C-]CC=C1C(C)C1=CC[C-]=C1CC(C)O[Si](C)(C)C)O[Si](C)(C)C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride?
The InChIKey is AHKCHMXSANLERV-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H40O2Si2.2ClH.Zr/c1-18(25-27(4,5)6)16-21-12-10-14-23(21)20(3)24-15-11-13-22(24)17-19(2)26-28(7,8)9;;;/h14-15,18-20H,10-11,16-17H2,1-9H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride?
trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride has a molecular weight of 578.88 g/mol, XLogP of 1.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[5-[1-[5-(2-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propan-2-yloxy]silane;zirconium(4+);dichloride is sourced from PubChem (CID 87935981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).