3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride

C8H11Cl3V — CID 173258063

IUPAC3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride
SMILESCCC1=CCC(C)=[C-]1.[Cl-].[Cl-].[Cl-].[V+4]
InChIInChI=1S/C8H11.3ClH.V/c1-3-8-5-4-7(2)6-8;;;;/h5H,3-4H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFPMAYNJTTMZMBF-UHFFFAOYSA-K
MW264.48 g/mol
LogP-6.51
Rot. Bonds1

About 3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride

3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride (PubChem CID 173258063) has the molecular formula C8H11Cl3V and a molecular weight of 264.48 g/mol. Its IUPAC name is 3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride.

Molecular Properties

Compound Name3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride
PubChem CID173258063
Molecular FormulaC8H11Cl3V
Molecular Weight264.48 g/mol
Exact Mass262.94
IUPAC Name3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride
SMILESCCC1=CCC(C)=[C-]1.[Cl-].[Cl-].[Cl-].[V+4]
InChIInChI=1S/C8H11.3ClH.V/c1-3-8-5-4-7(2)6-8;;;;/h5H,3-4H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFPMAYNJTTMZMBF-UHFFFAOYSA-K
XLogP-6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 5-6.51
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 3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride?
The IUPAC name of 3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride (CID 173258063) is 3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride.
What is the SMILES notation for 3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride?
The canonical SMILES for 3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride is CCC1=CCC(C)=[C-]1.[Cl-].[Cl-].[Cl-].[V+4].
What is the InChIKey of 3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride?
The InChIKey is FPMAYNJTTMZMBF-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H11.3ClH.V/c1-3-8-5-4-7(2)6-8;;;;/h5H,3-4H2,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride?
3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride has a molecular weight of 264.48 g/mol, XLogP of -6.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride is sourced from PubChem (CID 173258063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).