9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium

C18H15Cl2Zr- — CID 173293563

IUPAC9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium
SMILESCl[Zr]Cl.[c-]1cccc2c1C(C1C=CCC1)c1ccccc1-2
InChIInChI=1S/C18H15.2ClH.Zr/c1-2-8-13(7-1)18-16-11-5-3-9-14(16)15-10-4-6-12-17(15)18;;;/h1,3-7,9-11,13,18H,2,8H2;2*1H;/q-1;;;+2/p-2
InChIKeyOYDHIBZQRJZOIO-UHFFFAOYSA-L
MW393.45 g/mol
LogP5.94
Rot. Bonds1

About 9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium

9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium (PubChem CID 173293563) has the molecular formula C18H15Cl2Zr- and a molecular weight of 393.45 g/mol. Its IUPAC name is 9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium.

Molecular Properties

Compound Name9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium
PubChem CID173293563
Molecular FormulaC18H15Cl2Zr-
Molecular Weight393.45 g/mol
Exact Mass390.96
IUPAC Name9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium
SMILESCl[Zr]Cl.[c-]1cccc2c1C(C1C=CCC1)c1ccccc1-2
InChIInChI=1S/C18H15.2ClH.Zr/c1-2-8-13(7-1)18-16-11-5-3-9-14(16)15-10-4-6-12-17(15)18;;;/h1,3-7,9-11,13,18H,2,8H2;2*1H;/q-1;;;+2/p-2
InChIKeyOYDHIBZQRJZOIO-UHFFFAOYSA-L
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium?
The IUPAC name of 9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium (CID 173293563) is 9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium.
What is the SMILES notation for 9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium?
The canonical SMILES for 9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium is Cl[Zr]Cl.[c-]1cccc2c1C(C1C=CCC1)c1ccccc1-2.
What is the InChIKey of 9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium?
The InChIKey is OYDHIBZQRJZOIO-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15.2ClH.Zr/c1-2-8-13(7-1)18-16-11-5-3-9-14(16)15-10-4-6-12-17(15)18;;;/h1,3-7,9-11,13,18H,2,8H2;2*1H;/q-1;;;+2/p-2.
What are the key properties of 9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium?
9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium has a molecular weight of 393.45 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium is sourced from PubChem (CID 173293563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).