dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide

C23H27Cl2Zr- — CID 87883960

IUPACdichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
SMILESCCCc1ccc2[cH-]c(C(C)C)cc2c1-c1ccccc1CC.Cl[Zr]Cl
InChIInChI=1S/C23H27.2ClH.Zr/c1-5-9-18-12-13-19-14-20(16(3)4)15-22(19)23(18)21-11-8-7-10-17(21)6-2;;;/h7-8,10-16H,5-6,9H2,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyTVIFKQYIEFITRY-UHFFFAOYSA-L
MW465.60 g/mol
LogP8.24
Rot. Bonds5

About dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide

dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide (PubChem CID 87883960) has the molecular formula C23H27Cl2Zr- and a molecular weight of 465.60 g/mol. Its IUPAC name is dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
PubChem CID87883960
Molecular FormulaC23H27Cl2Zr-
Molecular Weight465.60 g/mol
Exact Mass463.05
IUPAC Namedichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
SMILESCCCc1ccc2[cH-]c(C(C)C)cc2c1-c1ccccc1CC.Cl[Zr]Cl
InChIInChI=1S/C23H27.2ClH.Zr/c1-5-9-18-12-13-19-14-20(16(3)4)15-22(19)23(18)21-11-8-7-10-17(21)6-2;;;/h7-8,10-16H,5-6,9H2,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyTVIFKQYIEFITRY-UHFFFAOYSA-L
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 58.24
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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Related Compounds

dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
CID 87865100
CID 173178839
CID 173178839
CID 173178182
CID 173178182
CID 173178211
CID 173178211
CID 87703564
CID 87703564
2-butan-2-yl-5-ethyl-4-(2-propan-2-ylphenyl)-1H-inden-1-ide;dichlorozirconium
CID 87884167
dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
CID 87884069
2-butan-2-yl-4-(2-ethylphenyl)-5-phenyl-1H-inden-1-ide;dichlorozirconium
CID 87884117
dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide
CID 87884211
CID 173190406
CID 173190406
CID 173178313
CID 173178313
CID 173178924
CID 173178924

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide (CID 87883960) is dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide is CCCc1ccc2[cH-]c(C(C)C)cc2c1-c1ccccc1CC.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide?
The InChIKey is TVIFKQYIEFITRY-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H27.2ClH.Zr/c1-5-9-18-12-13-19-14-20(16(3)4)15-22(19)23(18)21-11-8-7-10-17(21)6-2;;;/h7-8,10-16H,5-6,9H2,1-4H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide?
dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide has a molecular weight of 465.60 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide is sourced from PubChem (CID 87883960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).