dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene)

C16H22Cl2V-2 — CID 154415939

IUPACdichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene)
SMILESCc1cc(C)[c-](C)c1.Cc1cc(C)[c-](C)c1.Cl[V]Cl
InChIInChI=1S/2C8H11.2ClH.V/c2*1-6-4-7(2)8(3)5-6;;;/h2*4-5H,1-3H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyHZUNUSIIPWYSJZ-UHFFFAOYSA-L
MW336.20 g/mol
LogP6.04
Rot. Bonds

About dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene)

dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene) (PubChem CID 154415939) has the molecular formula C16H22Cl2V-2 and a molecular weight of 336.20 g/mol. Its IUPAC name is dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene).

Molecular Properties

Compound Namedichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene)
PubChem CID154415939
Molecular FormulaC16H22Cl2V-2
Molecular Weight336.20 g/mol
Exact Mass335.05
IUPAC Namedichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene)
SMILESCc1cc(C)[c-](C)c1.Cc1cc(C)[c-](C)c1.Cl[V]Cl
InChIInChI=1S/2C8H11.2ClH.V/c2*1-6-4-7(2)8(3)5-6;;;/h2*4-5H,1-3H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyHZUNUSIIPWYSJZ-UHFFFAOYSA-L
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.20
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene)?
The IUPAC name of dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene) (CID 154415939) is dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene).
What is the SMILES notation for dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene)?
The canonical SMILES for dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene) is Cc1cc(C)[c-](C)c1.Cc1cc(C)[c-](C)c1.Cl[V]Cl.
What is the InChIKey of dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene)?
The InChIKey is HZUNUSIIPWYSJZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.2ClH.V/c2*1-6-4-7(2)8(3)5-6;;;/h2*4-5H,1-3H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene)?
dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene) has a molecular weight of 336.20 g/mol, XLogP of 6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorovanadium;bis(1,3,5-trimethylcyclopenta-1,3-diene) is sourced from PubChem (CID 154415939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).