dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane

C26H32Cl2O2SiZr-2 — CID 87936367

IUPACdichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane
SMILESCC(C)=[Zr](Cl)Cl.C[Si](C)(C)OCCOc1c[cH-]c2ccccc12.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C14H19O2Si.C9H7.C3H6.2ClH.Zr/c1-17(2,3)16-11-10-15-14-9-8-12-6-4-5-7-13(12)14;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h4-9H,10-11H2,1-3H3;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyAHLRINWUWYFRTF-UHFFFAOYSA-L
MW566.76 g/mol
LogP8.47
Rot. Bonds5

About dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane

dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane (PubChem CID 87936367) has the molecular formula C26H32Cl2O2SiZr-2 and a molecular weight of 566.76 g/mol. Its IUPAC name is dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane.

Molecular Properties

Compound Namedichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane
PubChem CID87936367
Molecular FormulaC26H32Cl2O2SiZr-2
Molecular Weight566.76 g/mol
Exact Mass564.06
IUPAC Namedichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane
SMILESCC(C)=[Zr](Cl)Cl.C[Si](C)(C)OCCOc1c[cH-]c2ccccc12.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C14H19O2Si.C9H7.C3H6.2ClH.Zr/c1-17(2,3)16-11-10-15-14-9-8-12-6-4-5-7-13(12)14;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h4-9H,10-11H2,1-3H3;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyAHLRINWUWYFRTF-UHFFFAOYSA-L
XLogP8.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.76
LogP ≤ 58.47
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

dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane
CID 87936219
dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane
CID 87936229
dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane
CID 87558877
2-cyclopenta-1,4-dien-1-yloxyethoxy(trimethyl)silane;ethylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 87936070
CID 173198959
CID 173198959
CID 87936303
CID 87936303
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
CID 173198326
CID 173198326
dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol
CID 87993803
cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride
CID 159392494
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360

Frequently Asked Questions

What is the IUPAC name of dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane?
The IUPAC name of dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane (CID 87936367) is dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane.
What is the SMILES notation for dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane?
The canonical SMILES for dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane is CC(C)=[Zr](Cl)Cl.C[Si](C)(C)OCCOc1c[cH-]c2ccccc12.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane?
The InChIKey is AHLRINWUWYFRTF-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H19O2Si.C9H7.C3H6.2ClH.Zr/c1-17(2,3)16-11-10-15-14-9-8-12-6-4-5-7-13(12)14;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h4-9H,10-11H2,1-3H3;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane?
dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane has a molecular weight of 566.76 g/mol, XLogP of 8.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(propan-2-ylidene)zirconium;1H-inden-1-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane is sourced from PubChem (CID 87936367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).