2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium

C10H16Zr — CID 175034285

IUPAC2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium
SMILESCC(C)(C)CC1=CCC=C1.[Zr]
InChIInChI=1S/C10H16.Zr/c1-10(2,3)8-9-6-4-5-7-9;/h4,6-7H,5,8H2,1-3H3;
InChIKeyKKXLTYOXTORJPT-UHFFFAOYSA-N
MW227.46 g/mol
LogP3.31
Rot. Bonds1

About 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium

2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium (PubChem CID 175034285) has the molecular formula C10H16Zr and a molecular weight of 227.46 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium
PubChem CID175034285
Molecular FormulaC10H16Zr
Molecular Weight227.46 g/mol
Exact Mass226.03
IUPAC Name2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium
SMILESCC(C)(C)CC1=CCC=C1.[Zr]
InChIInChI=1S/C10H16.Zr/c1-10(2,3)8-9-6-4-5-7-9;/h4,6-7H,5,8H2,1-3H3;
InChIKeyKKXLTYOXTORJPT-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium?
The IUPAC name of 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium (CID 175034285) is 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium.
What is the SMILES notation for 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium?
The canonical SMILES for 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium is CC(C)(C)CC1=CCC=C1.[Zr].
What is the InChIKey of 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium?
The InChIKey is KKXLTYOXTORJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.Zr/c1-10(2,3)8-9-6-4-5-7-9;/h4,6-7H,5,8H2,1-3H3;.
What are the key properties of 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium?
2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium has a molecular weight of 227.46 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 175034285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).