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

C7H9Cl3V — CID 158137341

IUPAC1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride
SMILESCC1=[C-]C(C)=CC1.[Cl-].[Cl-].[Cl-].[V+4]
InChIInChI=1S/C7H9.3ClH.V/c1-6-3-4-7(2)5-6;;;;/h3H,4H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyDCUYUZGXRHCMIS-UHFFFAOYSA-K
MW250.45 g/mol
LogP-6.90
Rot. Bonds

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

1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride (PubChem CID 158137341) has the molecular formula C7H9Cl3V and a molecular weight of 250.45 g/mol. Its IUPAC name is 1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride.

Molecular Properties

Compound Name1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride
PubChem CID158137341
Molecular FormulaC7H9Cl3V
Molecular Weight250.45 g/mol
Exact Mass248.92
IUPAC Name1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride
SMILESCC1=[C-]C(C)=CC1.[Cl-].[Cl-].[Cl-].[V+4]
InChIInChI=1S/C7H9.3ClH.V/c1-6-3-4-7(2)5-6;;;;/h3H,4H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyDCUYUZGXRHCMIS-UHFFFAOYSA-K
XLogP-6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.45
LogP ≤ 5-6.90
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

1-Methyl-1,3-cyclopentadiene
CID 66775
1,2,3-Trimethylcyclopentadiene
CID 138063
1,3-Cyclopentadiene, 2-ethyl
CID 528176
1,2-Dimethylcyclopentadiene
CID 138349
1,3-Dimethylcyclopentadiene
CID 11137094
1,3-Cyclopentadiene, 2,3-dimethyl-
CID 12068306
1,4-Dimethylcyclopenta-1,3-diene
CID 13299177
Methylfulvene
CID 20474879
Chloro-[1-(chloromercurio)-2,4-dimethylpenta-1,3-dienyl]mercury
CID 12412543
CID 135046324
CID 135046324
Bis(2-methylcyclopenta-1,3-diene);vanadium(4+);dichloride
CID 17953321
Carbanide;cyclopenta-1,3-diene;vanadium;trichloride
CID 17953325

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride?
The IUPAC name of 1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride (CID 158137341) is 1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride.
What is the SMILES notation for 1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride?
The canonical SMILES for 1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride is CC1=[C-]C(C)=CC1.[Cl-].[Cl-].[Cl-].[V+4].
What is the InChIKey of 1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride?
The InChIKey is DCUYUZGXRHCMIS-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H9.3ClH.V/c1-6-3-4-7(2)5-6;;;;/h3H,4H2,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride?
1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride has a molecular weight of 250.45 g/mol, XLogP of -6.90, 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(4+);trichloride is sourced from PubChem (CID 158137341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).