1,2-dimethylcyclopenta-1,3-diene;zirconium

C7H10Zr — CID 174666436

IUPAC1,2-dimethylcyclopenta-1,3-diene;zirconium
SMILESCC1=C(C)CC=C1.[Zr]
InChIInChI=1S/C7H10.Zr/c1-6-4-3-5-7(6)2;/h3-4H,5H2,1-2H3;
InChIKeyZUBUYMXCSROTGB-UHFFFAOYSA-N
MW185.38 g/mol
LogP2.28
Rot. Bonds

About 1,2-dimethylcyclopenta-1,3-diene;zirconium

1,2-dimethylcyclopenta-1,3-diene;zirconium (PubChem CID 174666436) has the molecular formula C7H10Zr and a molecular weight of 185.38 g/mol. Its IUPAC name is 1,2-dimethylcyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Name1,2-dimethylcyclopenta-1,3-diene;zirconium
PubChem CID174666436
Molecular FormulaC7H10Zr
Molecular Weight185.38 g/mol
Exact Mass183.98
IUPAC Name1,2-dimethylcyclopenta-1,3-diene;zirconium
SMILESCC1=C(C)CC=C1.[Zr]
InChIInChI=1S/C7H10.Zr/c1-6-4-3-5-7(6)2;/h3-4H,5H2,1-2H3;
InChIKeyZUBUYMXCSROTGB-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclopenta-1,3-diene;zirconium?
The IUPAC name of 1,2-dimethylcyclopenta-1,3-diene;zirconium (CID 174666436) is 1,2-dimethylcyclopenta-1,3-diene;zirconium.
What is the SMILES notation for 1,2-dimethylcyclopenta-1,3-diene;zirconium?
The canonical SMILES for 1,2-dimethylcyclopenta-1,3-diene;zirconium is CC1=C(C)CC=C1.[Zr].
What is the InChIKey of 1,2-dimethylcyclopenta-1,3-diene;zirconium?
The InChIKey is ZUBUYMXCSROTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.Zr/c1-6-4-3-5-7(6)2;/h3-4H,5H2,1-2H3;.
What are the key properties of 1,2-dimethylcyclopenta-1,3-diene;zirconium?
1,2-dimethylcyclopenta-1,3-diene;zirconium has a molecular weight of 185.38 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 174666436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).