2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C21H30Cl2Zr — CID 141245726

IUPAC2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESC[c-]1ccc(C2CCCC2)c1.Cc1c(C)c(C)[c-](C)c1C.Cl[Zr+2]Cl
InChIInChI=1S/C11H15.C10H15.2ClH.Zr/c1-9-6-7-11(8-9)10-4-2-3-5-10;1-6-7(2)9(4)10(5)8(6)3;;;/h6-8,10H,2-5H2,1H3;1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyBFSZIDYHIQGVCC-UHFFFAOYSA-L
MW444.60 g/mol
LogP7.70
Rot. Bonds1

About 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene

2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 141245726) has the molecular formula C21H30Cl2Zr and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID141245726
Molecular FormulaC21H30Cl2Zr
Molecular Weight444.60 g/mol
Exact Mass442.08
IUPAC Name2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESC[c-]1ccc(C2CCCC2)c1.Cc1c(C)c(C)[c-](C)c1C.Cl[Zr+2]Cl
InChIInChI=1S/C11H15.C10H15.2ClH.Zr/c1-9-6-7-11(8-9)10-4-2-3-5-10;1-6-7(2)9(4)10(5)8(6)3;;;/h6-8,10H,2-5H2,1H3;1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyBFSZIDYHIQGVCC-UHFFFAOYSA-L
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tris(isopropylcyclopentadienyl)
CID 137797400
Titanium(4+) chloride 2,2'-(ethane-1,1-diyl)di(cyclopenta-2,4-dien-1-ide) (1/2/1)
CID 3061456
Tris(tetramethylcyclopentadienyl)terbium(III)
CID 16213821
Iron(2+) cyclopenta-2,4-dien-1-ide 2,2'-(propane-1,2-diyl)di(cyclopenta-2,4-dien-1-ide) (2/2/1)
CID 49822725
1,1'-Dipropylhafnocene dichloride
CID 53384272
Tris(i-propylcyclopentadienyl)terbium
CID 118856050
Prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 6453309
Bis(1,2-di(3,3,3-trifluoropropyl)cyclopentadienyl)zirconium dichloride
CID 171392890
Bis(tetraisopropylcyclopentadienyl)chromium(II)
CID 15865787
Hexyl-ferrocene
CID 12977233
n-Heptyl ferrocene
CID 12977234
Pentamethylruthenocene
CID 15248621

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 141245726) is 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is C[c-]1ccc(C2CCCC2)c1.Cc1c(C)c(C)[c-](C)c1C.Cl[Zr+2]Cl.
What is the InChIKey of 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is BFSZIDYHIQGVCC-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H15.C10H15.2ClH.Zr/c1-9-6-7-11(8-9)10-4-2-3-5-10;1-6-7(2)9(4)10(5)8(6)3;;;/h6-8,10H,2-5H2,1H3;1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 444.60 g/mol, XLogP of 7.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 141245726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).