bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+)

C20H30V — CID 173204075

IUPACbis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+)
SMILESCCCCC1=CCC(C)=[C-]1.CCCCC1=CCC(C)=[C-]1.[V+2]
InChIInChI=1S/2C10H15.V/c2*1-3-4-5-10-7-6-9(2)8-10;/h2*7H,3-6H2,1-2H3;/q2*-1;+2
InChIKeyZIOLBTGRSGYZET-UHFFFAOYSA-N
MW321.40 g/mol
LogP6.51
Rot. Bonds6

About bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+)

bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+) (PubChem CID 173204075) has the molecular formula C20H30V and a molecular weight of 321.40 g/mol. Its IUPAC name is bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+).

Molecular Properties

Compound Namebis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+)
PubChem CID173204075
Molecular FormulaC20H30V
Molecular Weight321.40 g/mol
Exact Mass321.18
IUPAC Namebis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+)
SMILESCCCCC1=CCC(C)=[C-]1.CCCCC1=CCC(C)=[C-]1.[V+2]
InChIInChI=1S/2C10H15.V/c2*1-3-4-5-10-7-6-9(2)8-10;/h2*7H,3-6H2,1-2H3;/q2*-1;+2
InChIKeyZIOLBTGRSGYZET-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(3-butyl-1-methylcyclopenta-1,3-diene);hafnium;methoxymethane
CID 175392923
3-ethyl-1-methylcyclopenta-1,3-diene;titanium
CID 174601324
3-ethyl-1-methylcyclopenta-1,3-diene;vanadium(4+);trichloride
CID 173258063
bis(1-butyl-3-methylcyclopenta-1,3-diene);vanadium;trichloride
CID 173225707
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
1,3-dimethylcyclopenta-1,3-diene;vanadium(4+);trichloride
CID 158137341
1-pentylcyclopropene
CID 159067584
bis(2-butyl-3-methylcyclopenta-1,3-diene);zirconium(2+)
CID 18003155
1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene
CID 139667512
bis(1-butylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 87256883
1-dodecylcyclopropene
CID 22621656

Frequently Asked Questions

What is the IUPAC name of bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+)?
The IUPAC name of bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+) (CID 173204075) is bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+).
What is the SMILES notation for bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+)?
The canonical SMILES for bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+) is CCCCC1=CCC(C)=[C-]1.CCCCC1=CCC(C)=[C-]1.[V+2].
What is the InChIKey of bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+)?
The InChIKey is ZIOLBTGRSGYZET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.V/c2*1-3-4-5-10-7-6-9(2)8-10;/h2*7H,3-6H2,1-2H3;/q2*-1;+2.
What are the key properties of bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+)?
bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+) has a molecular weight of 321.40 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-butyl-1-methylcyclopenta-1,3-diene);vanadium(2+) is sourced from PubChem (CID 173204075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).