dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene

C24H26Cl2Zr-2 — CID 174349526

IUPACdichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene
SMILESCC(C)=[Zr](Cl)Cl.CCC[c-]1cccc1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C8H11.C3H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-8-6-3-4-7-8;1-3-2;;;/h1-9H;3-4,6-7H,2,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXOLCCZOVCYMJER-UHFFFAOYSA-L
MW476.60 g/mol
LogP8.19
Rot. Bonds2

About dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene

dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene (PubChem CID 174349526) has the molecular formula C24H26Cl2Zr-2 and a molecular weight of 476.60 g/mol. Its IUPAC name is dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene
PubChem CID174349526
Molecular FormulaC24H26Cl2Zr-2
Molecular Weight476.60 g/mol
Exact Mass474.05
IUPAC Namedichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene
SMILESCC(C)=[Zr](Cl)Cl.CCC[c-]1cccc1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C8H11.C3H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-8-6-3-4-7-8;1-3-2;;;/h1-9H;3-4,6-7H,2,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXOLCCZOVCYMJER-UHFFFAOYSA-L
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene?
The IUPAC name of dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene (CID 174349526) is dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene.
What is the SMILES notation for dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene?
The canonical SMILES for dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene is CC(C)=[Zr](Cl)Cl.CCC[c-]1cccc1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene?
The InChIKey is XOLCCZOVCYMJER-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C8H11.C3H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-8-6-3-4-7-8;1-3-2;;;/h1-9H;3-4,6-7H,2,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene?
dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene has a molecular weight of 476.60 g/mol, XLogP of 8.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene is sourced from PubChem (CID 174349526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).