2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+)

C17H24Zr — CID 175970554

IUPAC2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+)
SMILESCCCC1=[C-]CC=C1.Cc1c[c-](C)c(C)c1C.[Zr+2]
InChIInChI=1S/C9H13.C8H11.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-5-8-6-3-4-7-8;/h5H,1-4H3;3,6H,2,4-5H2,1H3;/q2*-1;+2
InChIKeyCCOXTQXTZOBCCZ-UHFFFAOYSA-N
MW319.60 g/mol
LogP5.11
Rot. Bonds2

About 2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+)

2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+) (PubChem CID 175970554) has the molecular formula C17H24Zr and a molecular weight of 319.60 g/mol. Its IUPAC name is 2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+).

Molecular Properties

Compound Name2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+)
PubChem CID175970554
Molecular FormulaC17H24Zr
Molecular Weight319.60 g/mol
Exact Mass318.09
IUPAC Name2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+)
SMILESCCCC1=[C-]CC=C1.Cc1c[c-](C)c(C)c1C.[Zr+2]
InChIInChI=1S/C9H13.C8H11.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-5-8-6-3-4-7-8;/h5H,1-4H3;3,6H,2,4-5H2,1H3;/q2*-1;+2
InChIKeyCCOXTQXTZOBCCZ-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.60
LogP ≤ 55.11
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-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+)?
The IUPAC name of 2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+) (CID 175970554) is 2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+).
What is the SMILES notation for 2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+)?
The canonical SMILES for 2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+) is CCCC1=[C-]CC=C1.Cc1c[c-](C)c(C)c1C.[Zr+2].
What is the InChIKey of 2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+)?
The InChIKey is CCOXTQXTZOBCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C8H11.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-5-8-6-3-4-7-8;/h5H,1-4H3;3,6H,2,4-5H2,1H3;/q2*-1;+2.
What are the key properties of 2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+)?
2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+) has a molecular weight of 319.60 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+) is sourced from PubChem (CID 175970554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).