1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium

C10H15Cl3Zr- — CID 12827918

IUPAC1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium
SMILESCc1c(C)c(C)[c-](C)c1C.Cl[Zr](Cl)Cl
InChIInChI=1S/C10H15.3ClH.Zr/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q-1;;;;+3/p-3
InChIKeyXZRIJZMMTDVZIR-UHFFFAOYSA-K
MW332.81 g/mol
LogP5.01
Rot. Bonds

About 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium

1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium (PubChem CID 12827918) has the molecular formula C10H15Cl3Zr- and a molecular weight of 332.81 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium.

Molecular Properties

Compound Name1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium
PubChem CID12827918
Molecular FormulaC10H15Cl3Zr-
Molecular Weight332.81 g/mol
Exact Mass329.93
IUPAC Name1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium
SMILESCc1c(C)c(C)[c-](C)c1C.Cl[Zr](Cl)Cl
InChIInChI=1S/C10H15.3ClH.Zr/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q-1;;;;+3/p-3
InChIKeyXZRIJZMMTDVZIR-UHFFFAOYSA-K
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.81
LogP ≤ 55.01
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 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium?
The IUPAC name of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium (CID 12827918) is 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium.
What is the SMILES notation for 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium?
The canonical SMILES for 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium is Cc1c(C)c(C)[c-](C)c1C.Cl[Zr](Cl)Cl.
What is the InChIKey of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium?
The InChIKey is XZRIJZMMTDVZIR-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H15.3ClH.Zr/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q-1;;;;+3/p-3.
What are the key properties of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium?
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium has a molecular weight of 332.81 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium is sourced from PubChem (CID 12827918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).