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

2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 159160331
5-methylcyclopenta-1,3-diene;trichlorozirconium
CID 154420195
benzylidenezirconium(2+);2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide
CID 173158166
(3-methylcyclopenta-1,4-dien-1-yl)benzene
CID 123646897
5-ethyl-2-methylcyclopenta-1,3-diene;zirconium
CID 154080845
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium
CID 12827918
2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141245726
1,1,1,2,2,2-hexachloroethane;1,4-xylene
CID 174736930
trichlororuthenium;1,3,5-trimethylbenzene
CID 175712088
bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)
CID 89396210
dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene
CID 154423024
dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene)
CID 154415939

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).