2-butyl-5-methylcyclopenta-1,3-diene;zirconium

C10H16Zr — CID 174290613

IUPAC2-butyl-5-methylcyclopenta-1,3-diene;zirconium
SMILESCCCCC1=CC(C)C=C1.[Zr]
InChIInChI=1S/C10H16.Zr/c1-3-4-5-10-7-6-9(2)8-10;/h6-9H,3-5H2,1-2H3;
InChIKeyOPJNLTVJKCYTFZ-UHFFFAOYSA-N
MW227.46 g/mol
LogP3.31
Rot. Bonds3

About 2-butyl-5-methylcyclopenta-1,3-diene;zirconium

2-butyl-5-methylcyclopenta-1,3-diene;zirconium (PubChem CID 174290613) has the molecular formula C10H16Zr and a molecular weight of 227.46 g/mol. Its IUPAC name is 2-butyl-5-methylcyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Name2-butyl-5-methylcyclopenta-1,3-diene;zirconium
PubChem CID174290613
Molecular FormulaC10H16Zr
Molecular Weight227.46 g/mol
Exact Mass226.03
IUPAC Name2-butyl-5-methylcyclopenta-1,3-diene;zirconium
SMILESCCCCC1=CC(C)C=C1.[Zr]
InChIInChI=1S/C10H16.Zr/c1-3-4-5-10-7-6-9(2)8-10;/h6-9H,3-5H2,1-2H3;
InChIKeyOPJNLTVJKCYTFZ-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methylcyclopenta-1,3-diene;zirconium?
The IUPAC name of 2-butyl-5-methylcyclopenta-1,3-diene;zirconium (CID 174290613) is 2-butyl-5-methylcyclopenta-1,3-diene;zirconium.
What is the SMILES notation for 2-butyl-5-methylcyclopenta-1,3-diene;zirconium?
The canonical SMILES for 2-butyl-5-methylcyclopenta-1,3-diene;zirconium is CCCCC1=CC(C)C=C1.[Zr].
What is the InChIKey of 2-butyl-5-methylcyclopenta-1,3-diene;zirconium?
The InChIKey is OPJNLTVJKCYTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.Zr/c1-3-4-5-10-7-6-9(2)8-10;/h6-9H,3-5H2,1-2H3;.
What are the key properties of 2-butyl-5-methylcyclopenta-1,3-diene;zirconium?
2-butyl-5-methylcyclopenta-1,3-diene;zirconium has a molecular weight of 227.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methylcyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 174290613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).