1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride

C7H9Cl2V- — CID 87182182

IUPAC1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride
SMILESCC1=[C-]C(C)=CC1.[Cl-].[Cl-].[V+2]
InChIInChI=1S/C7H9.2ClH.V/c1-6-3-4-7(2)5-6;;;/h3H,4H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyWXMLLSXPFZTXST-UHFFFAOYSA-L
MW215.00 g/mol
LogP-3.91
Rot. Bonds

About 1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride

1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride (PubChem CID 87182182) has the molecular formula C7H9Cl2V- and a molecular weight of 215.00 g/mol. Its IUPAC name is 1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride.

Molecular Properties

Compound Name1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride
PubChem CID87182182
Molecular FormulaC7H9Cl2V-
Molecular Weight215.00 g/mol
Exact Mass213.95
IUPAC Name1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride
SMILESCC1=[C-]C(C)=CC1.[Cl-].[Cl-].[V+2]
InChIInChI=1S/C7H9.2ClH.V/c1-6-3-4-7(2)5-6;;;/h3H,4H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyWXMLLSXPFZTXST-UHFFFAOYSA-L
XLogP-3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.00
LogP ≤ 5-3.91
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 1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride?
The IUPAC name of 1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride (CID 87182182) is 1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride.
What is the SMILES notation for 1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride?
The canonical SMILES for 1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride is CC1=[C-]C(C)=CC1.[Cl-].[Cl-].[V+2].
What is the InChIKey of 1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride?
The InChIKey is WXMLLSXPFZTXST-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H9.2ClH.V/c1-6-3-4-7(2)5-6;;;/h3H,4H2,1-2H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of 1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride?
1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride has a molecular weight of 215.00 g/mol, XLogP of -3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclopenta-1,3-diene;vanadium(2+);dichloride is sourced from PubChem (CID 87182182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).