dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane

C28H30Cl2O2SiZr-2 — CID 87936229

IUPACdichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane
SMILESCC=[Zr](Cl)Cl.C[Si](C)(C)OCOc1c[cH-]c2ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H17O2Si.C13H9.C2H4.2ClH.Zr/c1-16(2,3)15-10-14-13-9-8-11-6-4-5-7-12(11)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2;;;/h4-9H,10H2,1-3H3;1-9H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyYTIIGCONWNBZPY-UHFFFAOYSA-L
MW588.76 g/mol
LogP9.19
Rot. Bonds4

About dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane

dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane (PubChem CID 87936229) has the molecular formula C28H30Cl2O2SiZr-2 and a molecular weight of 588.76 g/mol. Its IUPAC name is dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane.

Molecular Properties

Compound Namedichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane
PubChem CID87936229
Molecular FormulaC28H30Cl2O2SiZr-2
Molecular Weight588.76 g/mol
Exact Mass586.05
IUPAC Namedichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane
SMILESCC=[Zr](Cl)Cl.C[Si](C)(C)OCOc1c[cH-]c2ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H17O2Si.C13H9.C2H4.2ClH.Zr/c1-16(2,3)15-10-14-13-9-8-11-6-4-5-7-12(11)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2;;;/h4-9H,10H2,1-3H3;1-9H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyYTIIGCONWNBZPY-UHFFFAOYSA-L
XLogP9.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.76
LogP ≤ 59.19
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 dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane?
The IUPAC name of dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane (CID 87936229) is dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane.
What is the SMILES notation for dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane?
The canonical SMILES for dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane is CC=[Zr](Cl)Cl.C[Si](C)(C)OCOc1c[cH-]c2ccccc12.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane?
The InChIKey is YTIIGCONWNBZPY-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H17O2Si.C13H9.C2H4.2ClH.Zr/c1-16(2,3)15-10-14-13-9-8-11-6-4-5-7-12(11)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2;;;/h4-9H,10H2,1-3H3;1-9H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane?
dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane has a molecular weight of 588.76 g/mol, XLogP of 9.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane is sourced from PubChem (CID 87936229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).