5-ethyl-1-methylcyclopenta-1,3-diene;zirconium

C8H12Zr — CID 174480291

IUPAC5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
SMILESCCC1C=CC=C1C.[Zr]
InChIInChI=1S/C8H12.Zr/c1-3-8-6-4-5-7(8)2;/h4-6,8H,3H2,1-2H3;
InChIKeyCWAFWKPFVCKNHU-UHFFFAOYSA-N
MW199.41 g/mol
LogP2.53
Rot. Bonds1

About 5-ethyl-1-methylcyclopenta-1,3-diene;zirconium

5-ethyl-1-methylcyclopenta-1,3-diene;zirconium (PubChem CID 174480291) has the molecular formula C8H12Zr and a molecular weight of 199.41 g/mol. Its IUPAC name is 5-ethyl-1-methylcyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Name5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
PubChem CID174480291
Molecular FormulaC8H12Zr
Molecular Weight199.41 g/mol
Exact Mass198.00
IUPAC Name5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
SMILESCCC1C=CC=C1C.[Zr]
InChIInChI=1S/C8H12.Zr/c1-3-8-6-4-5-7(8)2;/h4-6,8H,3H2,1-2H3;
InChIKeyCWAFWKPFVCKNHU-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylcyclopenta-1,3-diene;zirconium?
The IUPAC name of 5-ethyl-1-methylcyclopenta-1,3-diene;zirconium (CID 174480291) is 5-ethyl-1-methylcyclopenta-1,3-diene;zirconium.
What is the SMILES notation for 5-ethyl-1-methylcyclopenta-1,3-diene;zirconium?
The canonical SMILES for 5-ethyl-1-methylcyclopenta-1,3-diene;zirconium is CCC1C=CC=C1C.[Zr].
What is the InChIKey of 5-ethyl-1-methylcyclopenta-1,3-diene;zirconium?
The InChIKey is CWAFWKPFVCKNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.Zr/c1-3-8-6-4-5-7(8)2;/h4-6,8H,3H2,1-2H3;.
What are the key properties of 5-ethyl-1-methylcyclopenta-1,3-diene;zirconium?
5-ethyl-1-methylcyclopenta-1,3-diene;zirconium has a molecular weight of 199.41 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methylcyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 174480291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).