trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride

C19H23Cl2O2SiZr — CID 87935839

IUPACtrimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride
SMILESCc1[cH-]c2ccccc2c1C1=C(OCO[Si](C)(C)C)C=CC1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C19H23O2Si.2ClH.Zr/c1-14-12-15-8-5-6-9-16(15)19(14)17-10-7-11-18(17)20-13-21-22(2,3)4;;;/h5-9,11-12H,10,13H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeySYDZQHLXPGFNPY-UHFFFAOYSA-L
MW473.61 g/mol
LogP-0.63
Rot. Bonds5

About trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride

trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride (PubChem CID 87935839) has the molecular formula C19H23Cl2O2SiZr and a molecular weight of 473.61 g/mol. Its IUPAC name is trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride.

Molecular Properties

Compound Nametrimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride
PubChem CID87935839
Molecular FormulaC19H23Cl2O2SiZr
Molecular Weight473.61 g/mol
Exact Mass470.99
IUPAC Nametrimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride
SMILESCc1[cH-]c2ccccc2c1C1=C(OCO[Si](C)(C)C)C=CC1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C19H23O2Si.2ClH.Zr/c1-14-12-15-8-5-6-9-16(15)19(14)17-10-7-11-18(17)20-13-21-22(2,3)4;;;/h5-9,11-12H,10,13H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeySYDZQHLXPGFNPY-UHFFFAOYSA-L
XLogP-0.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 5-0.63
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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Related Compounds

[4-(3-ethylidene-1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride
CID 87935817
cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 87935824
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-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 87935844
(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 87935845
CID 87935859
CID 87935859
CID 87935938
CID 87935938
CID 87935940
CID 87935940
[2-(3-ethylidene-1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride
CID 87935998
cyclopenta-1,4-dien-1-yloxymethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 87936002
2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 87936070
[2-(1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy-trimethylsilane;zirconium(3+);dichloride
CID 87936084

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride?
The IUPAC name of trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride (CID 87935839) is trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride.
What is the SMILES notation for trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride?
The canonical SMILES for trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride is Cc1[cH-]c2ccccc2c1C1=C(OCO[Si](C)(C)C)C=CC1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride?
The InChIKey is SYDZQHLXPGFNPY-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H23O2Si.2ClH.Zr/c1-14-12-15-8-5-6-9-16(15)19(14)17-10-7-11-18(17)20-13-21-22(2,3)4;;;/h5-9,11-12H,10,13H2,1-4H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride?
trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride has a molecular weight of 473.61 g/mol, XLogP of -0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[2-(2-methyl-3H-inden-3-id-1-yl)cyclopenta-1,4-dien-1-yl]oxymethoxy]silane;zirconium(3+);dichloride is sourced from PubChem (CID 87935839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).