2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium

C7H9Cl3Zr- — CID 154072838

IUPAC2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium
SMILESCc1cc[c-](C)c1.Cl[Zr](Cl)Cl
InChIInChI=1S/C7H9.3ClH.Zr/c1-6-3-4-7(2)5-6;;;;/h3-5H,1-2H3;3*1H;/q-1;;;;+3/p-3
InChIKeyAHXDCJJYSXRDJY-UHFFFAOYSA-K
MW290.73 g/mol
LogP4.09
Rot. Bonds

About 2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium

2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium (PubChem CID 154072838) has the molecular formula C7H9Cl3Zr- and a molecular weight of 290.73 g/mol. Its IUPAC name is 2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium.

Molecular Properties

Compound Name2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium
PubChem CID154072838
Molecular FormulaC7H9Cl3Zr-
Molecular Weight290.73 g/mol
Exact Mass287.88
IUPAC Name2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium
SMILESCc1cc[c-](C)c1.Cl[Zr](Cl)Cl
InChIInChI=1S/C7H9.3ClH.Zr/c1-6-3-4-7(2)5-6;;;;/h3-5H,1-2H3;3*1H;/q-1;;;;+3/p-3
InChIKeyAHXDCJJYSXRDJY-UHFFFAOYSA-K
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 200234
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CID 15242020
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CID 200235
CID 200235
CID 3061451
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CID 12980203
CID 12980203
CID 55253306
CID 55253306
CID 11984645
CID 11984645
CID 129651941
CID 129651941
CID 517423
CID 517423
CID 4167300
CID 4167300
CID 4293996
CID 4293996
CID 4607244
CID 4607244

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium?
The IUPAC name of 2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium (CID 154072838) is 2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium.
What is the SMILES notation for 2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium?
The canonical SMILES for 2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium is Cc1cc[c-](C)c1.Cl[Zr](Cl)Cl.
What is the InChIKey of 2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium?
The InChIKey is AHXDCJJYSXRDJY-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H9.3ClH.Zr/c1-6-3-4-7(2)5-6;;;;/h3-5H,1-2H3;3*1H;/q-1;;;;+3/p-3.
What are the key properties of 2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium?
2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium has a molecular weight of 290.73 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium is sourced from PubChem (CID 154072838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).