cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride

C20H26Cl2O2SiZr-2 — CID 87936002

IUPACcyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride
SMILESCC=[Zr+2].C[Si](C)(C)OCOC1=[C-]CC=C1.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H15O2Si.C9H7.C2H4.2ClH.Zr/c1-12(2,3)11-8-10-9-6-4-5-7-9;1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h4,6H,5,8H2,1-3H3;1-7H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyBZNXYXHQHGGIOL-UHFFFAOYSA-L
MW488.64 g/mol
LogP-0.62
Rot. Bonds4

About cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride

cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride (PubChem CID 87936002) has the molecular formula C20H26Cl2O2SiZr-2 and a molecular weight of 488.64 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride
PubChem CID87936002
Molecular FormulaC20H26Cl2O2SiZr-2
Molecular Weight488.64 g/mol
Exact Mass486.01
IUPAC Namecyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride
SMILESCC=[Zr+2].C[Si](C)(C)OCOC1=[C-]CC=C1.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H15O2Si.C9H7.C2H4.2ClH.Zr/c1-12(2,3)11-8-10-9-6-4-5-7-9;1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h4,6H,5,8H2,1-3H3;1-7H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyBZNXYXHQHGGIOL-UHFFFAOYSA-L
XLogP-0.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 5-0.62
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride (CID 87936002) is cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride is CC=[Zr+2].C[Si](C)(C)OCOC1=[C-]CC=C1.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.
What is the InChIKey of cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride?
The InChIKey is BZNXYXHQHGGIOL-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H15O2Si.C9H7.C2H4.2ClH.Zr/c1-12(2,3)11-8-10-9-6-4-5-7-9;1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h4,6H,5,8H2,1-3H3;1-7H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride?
cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride has a molecular weight of 488.64 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride is sourced from PubChem (CID 87936002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).