5-methylcyclopenta-1,3-diene;trichlorozirconium

C6H7Cl3Zr- — CID 154420195

IUPAC5-methylcyclopenta-1,3-diene;trichlorozirconium
SMILESC[c-]1cccc1.Cl[Zr](Cl)Cl
InChIInChI=1S/C6H7.3ClH.Zr/c1-6-4-2-3-5-6;;;;/h2-5H,1H3;3*1H;/q-1;;;;+3/p-3
InChIKeyJMYGYZQGIUFBRX-UHFFFAOYSA-K
MW276.70 g/mol
LogP3.78
Rot. Bonds

About 5-methylcyclopenta-1,3-diene;trichlorozirconium

5-methylcyclopenta-1,3-diene;trichlorozirconium (PubChem CID 154420195) has the molecular formula C6H7Cl3Zr- and a molecular weight of 276.70 g/mol. Its IUPAC name is 5-methylcyclopenta-1,3-diene;trichlorozirconium.

Molecular Properties

Compound Name5-methylcyclopenta-1,3-diene;trichlorozirconium
PubChem CID154420195
Molecular FormulaC6H7Cl3Zr-
Molecular Weight276.70 g/mol
Exact Mass273.87
IUPAC Name5-methylcyclopenta-1,3-diene;trichlorozirconium
SMILESC[c-]1cccc1.Cl[Zr](Cl)Cl
InChIInChI=1S/C6H7.3ClH.Zr/c1-6-4-2-3-5-6;;;;/h2-5H,1H3;3*1H;/q-1;;;;+3/p-3
InChIKeyJMYGYZQGIUFBRX-UHFFFAOYSA-K
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of 5-methylcyclopenta-1,3-diene;trichlorozirconium?
The IUPAC name of 5-methylcyclopenta-1,3-diene;trichlorozirconium (CID 154420195) is 5-methylcyclopenta-1,3-diene;trichlorozirconium.
What is the SMILES notation for 5-methylcyclopenta-1,3-diene;trichlorozirconium?
The canonical SMILES for 5-methylcyclopenta-1,3-diene;trichlorozirconium is C[c-]1cccc1.Cl[Zr](Cl)Cl.
What is the InChIKey of 5-methylcyclopenta-1,3-diene;trichlorozirconium?
The InChIKey is JMYGYZQGIUFBRX-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H7.3ClH.Zr/c1-6-4-2-3-5-6;;;;/h2-5H,1H3;3*1H;/q-1;;;;+3/p-3.
What are the key properties of 5-methylcyclopenta-1,3-diene;trichlorozirconium?
5-methylcyclopenta-1,3-diene;trichlorozirconium has a molecular weight of 276.70 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclopenta-1,3-diene;trichlorozirconium is sourced from PubChem (CID 154420195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).