dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene

C23H24Cl2Zr — CID 87674465

IUPACdichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene
SMILESCl[Zr+2]Cl.[CH2-]CC1C=Cc2ccccc21.[CH2-]CCC1C=Cc2ccccc21
InChIInChI=1S/C12H13.C11H11.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h3-4,6-10H,1-2,5H2;3-9H,1-2H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyJKJOFFWWKDIOHP-UHFFFAOYSA-L
MW462.58 g/mol
LogP7.81
Rot. Bonds3

About dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene

dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene (PubChem CID 87674465) has the molecular formula C23H24Cl2Zr and a molecular weight of 462.58 g/mol. Its IUPAC name is dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene.

Molecular Properties

Compound Namedichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene
PubChem CID87674465
Molecular FormulaC23H24Cl2Zr
Molecular Weight462.58 g/mol
Exact Mass460.03
IUPAC Namedichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene
SMILESCl[Zr+2]Cl.[CH2-]CC1C=Cc2ccccc21.[CH2-]CCC1C=Cc2ccccc21
InChIInChI=1S/C12H13.C11H11.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h3-4,6-10H,1-2,5H2;3-9H,1-2H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyJKJOFFWWKDIOHP-UHFFFAOYSA-L
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 57.81
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 dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene?
The IUPAC name of dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene (CID 87674465) is dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene.
What is the SMILES notation for dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene?
The canonical SMILES for dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene is Cl[Zr+2]Cl.[CH2-]CC1C=Cc2ccccc21.[CH2-]CCC1C=Cc2ccccc21.
What is the InChIKey of dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene?
The InChIKey is JKJOFFWWKDIOHP-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13.C11H11.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h3-4,6-10H,1-2,5H2;3-9H,1-2H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene?
dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene has a molecular weight of 462.58 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene is sourced from PubChem (CID 87674465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).