2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium

C24H27Zr- — CID 151993274

IUPAC2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium
SMILESCCCc1ccc(-c2cccc3[cH-]c(C4CCCC4)c(C)c23)cc1.[Zr]
InChIInChI=1S/C24H27.Zr/c1-3-7-18-12-14-20(15-13-18)22-11-6-10-21-16-23(17(2)24(21)22)19-8-4-5-9-19;/h6,10-16,19H,3-5,7-9H2,1-2H3;/q-1;
InChIKeyVABIXWHUWOKVBX-UHFFFAOYSA-N
MW406.70 g/mol
LogP7.14
Rot. Bonds4

About 2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium

2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium (PubChem CID 151993274) has the molecular formula C24H27Zr- and a molecular weight of 406.70 g/mol. Its IUPAC name is 2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium.

Molecular Properties

Compound Name2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium
PubChem CID151993274
Molecular FormulaC24H27Zr-
Molecular Weight406.70 g/mol
Exact Mass405.12
IUPAC Name2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium
SMILESCCCc1ccc(-c2cccc3[cH-]c(C4CCCC4)c(C)c23)cc1.[Zr]
InChIInChI=1S/C24H27.Zr/c1-3-7-18-12-14-20(15-13-18)22-11-6-10-21-16-23(17(2)24(21)22)19-8-4-5-9-19;/h6,10-16,19H,3-5,7-9H2,1-2H3;/q-1;
InChIKeyVABIXWHUWOKVBX-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 57.14
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 2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium?
The IUPAC name of 2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium (CID 151993274) is 2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium.
What is the SMILES notation for 2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium?
The canonical SMILES for 2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium is CCCc1ccc(-c2cccc3[cH-]c(C4CCCC4)c(C)c23)cc1.[Zr].
What is the InChIKey of 2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium?
The InChIKey is VABIXWHUWOKVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27.Zr/c1-3-7-18-12-14-20(15-13-18)22-11-6-10-21-16-23(17(2)24(21)22)19-8-4-5-9-19;/h6,10-16,19H,3-5,7-9H2,1-2H3;/q-1;.
What are the key properties of 2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium?
2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium has a molecular weight of 406.70 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium is sourced from PubChem (CID 151993274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).