dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide

C17H23Cl2Zr- — CID 174402976

IUPACdichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide
SMILESCCCCCCc1ccc(C)c2[cH-]c(C)cc12.Cl[Zr]Cl
InChIInChI=1S/C17H23.2ClH.Zr/c1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;;;/h9-12H,4-8H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyFYCOMKQOBWKRFR-UHFFFAOYSA-L
MW389.50 g/mol
LogP6.67
Rot. Bonds5

About dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide

dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide (PubChem CID 174402976) has the molecular formula C17H23Cl2Zr- and a molecular weight of 389.50 g/mol. Its IUPAC name is dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide
PubChem CID174402976
Molecular FormulaC17H23Cl2Zr-
Molecular Weight389.50 g/mol
Exact Mass387.02
IUPAC Namedichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide
SMILESCCCCCCc1ccc(C)c2[cH-]c(C)cc12.Cl[Zr]Cl
InChIInChI=1S/C17H23.2ClH.Zr/c1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;;;/h9-12H,4-8H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyFYCOMKQOBWKRFR-UHFFFAOYSA-L
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 173193882
CID 173193882
bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
CID 22602465
dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
CID 161403198
CID 172801081
CID 172801081
CID 159572183
CID 159572183
CID 87846848
CID 87846848
7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide
CID 161230348
titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride
CID 174467662
titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride
CID 160602181
2,3,6,7,9,10-hexaheptylanthracene
CID 14089080
tris(titanium(2+));tris(2,4,7-trimethyl-1H-inden-1-ide);trichloride
CID 19696978
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide (CID 174402976) is dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide is CCCCCCc1ccc(C)c2[cH-]c(C)cc12.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide?
The InChIKey is FYCOMKQOBWKRFR-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H23.2ClH.Zr/c1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;;;/h9-12H,4-8H2,1-3H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide?
dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide has a molecular weight of 389.50 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide is sourced from PubChem (CID 174402976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).