dichlorozirconium;3-propyl-1H-indene

C12H14Cl2Zr — CID 175084745

IUPACdichlorozirconium;3-propyl-1H-indene
SMILESCCCC1=CCc2ccccc21.Cl[Zr]Cl
InChIInChI=1S/C12H14.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;;;/h3-4,6-8H,2,5,9H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyZAOHFQRWEWBVHX-UHFFFAOYSA-L
MW320.37 g/mol
LogP4.80
Rot. Bonds2

About dichlorozirconium;3-propyl-1H-indene

dichlorozirconium;3-propyl-1H-indene (PubChem CID 175084745) has the molecular formula C12H14Cl2Zr and a molecular weight of 320.37 g/mol. Its IUPAC name is dichlorozirconium;3-propyl-1H-indene.

Molecular Properties

Compound Namedichlorozirconium;3-propyl-1H-indene
PubChem CID175084745
Molecular FormulaC12H14Cl2Zr
Molecular Weight320.37 g/mol
Exact Mass317.95
IUPAC Namedichlorozirconium;3-propyl-1H-indene
SMILESCCCC1=CCc2ccccc21.Cl[Zr]Cl
InChIInChI=1S/C12H14.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;;;/h3-4,6-8H,2,5,9H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyZAOHFQRWEWBVHX-UHFFFAOYSA-L
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;3-propyl-1H-indene?
The IUPAC name of dichlorozirconium;3-propyl-1H-indene (CID 175084745) is dichlorozirconium;3-propyl-1H-indene.
What is the SMILES notation for dichlorozirconium;3-propyl-1H-indene?
The canonical SMILES for dichlorozirconium;3-propyl-1H-indene is CCCC1=CCc2ccccc21.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;3-propyl-1H-indene?
The InChIKey is ZAOHFQRWEWBVHX-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H14.2ClH.Zr/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;;;/h3-4,6-8H,2,5,9H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;3-propyl-1H-indene?
dichlorozirconium;3-propyl-1H-indene has a molecular weight of 320.37 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;3-propyl-1H-indene is sourced from PubChem (CID 175084745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).