bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride

C16H22Cl2V — CID 88619957

IUPACbis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride
SMILESCc1cc[c-](C)c1C.Cc1cc[c-](C)c1C.[Cl-].[Cl-].[V+4]
InChIInChI=1S/2C8H11.2ClH.V/c2*1-6-4-5-7(2)8(6)3;;;/h2*4-5H,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyFGTPMXQKVRAVGI-UHFFFAOYSA-L
MW336.20 g/mol
LogP-1.33
Rot. Bonds

About bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride

bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride (PubChem CID 88619957) has the molecular formula C16H22Cl2V and a molecular weight of 336.20 g/mol. Its IUPAC name is bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride.

Molecular Properties

Compound Namebis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride
PubChem CID88619957
Molecular FormulaC16H22Cl2V
Molecular Weight336.20 g/mol
Exact Mass335.05
IUPAC Namebis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride
SMILESCc1cc[c-](C)c1C.Cc1cc[c-](C)c1C.[Cl-].[Cl-].[V+4]
InChIInChI=1S/2C8H11.2ClH.V/c2*1-6-4-5-7(2)8(6)3;;;/h2*4-5H,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyFGTPMXQKVRAVGI-UHFFFAOYSA-L
XLogP-1.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 5-1.33
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

carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene
CID 151232190
1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride
CID 173257139
dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene
CID 154423024
cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);1,2,5-trimethylcyclopenta-1,3-diene;dichloride
CID 159998062
butanoate;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene
CID 160679499
1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene
CID 150439140
bis(1,5-dimethyl-2-(3-methylpentan-3-yl)cyclopenta-1,3-diene);zirconium(4+);dichloride
CID 87359977
(2,3-dimethylcyclopenta-2,4-dien-1-yl)-triphenylsilane;titanium(4+);trichloride
CID 161432168
cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)
CID 172687333
carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 87907692
(2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
CID 173383669
sodium 1,2,3,5-tetramethylcyclopenta-1,3-diene
CID 86585831

Frequently Asked Questions

What is the IUPAC name of bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride?
The IUPAC name of bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride (CID 88619957) is bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride.
What is the SMILES notation for bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride?
The canonical SMILES for bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride is Cc1cc[c-](C)c1C.Cc1cc[c-](C)c1C.[Cl-].[Cl-].[V+4].
What is the InChIKey of bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride?
The InChIKey is FGTPMXQKVRAVGI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.2ClH.V/c2*1-6-4-5-7(2)8(6)3;;;/h2*4-5H,1-3H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride?
bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride has a molecular weight of 336.20 g/mol, XLogP of -1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride is sourced from PubChem (CID 88619957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).