1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride

C8H14Cl3V- — CID 173257139

IUPAC1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride
SMILESCc1cc[c-](C)c1C.Cl.Cl.Cl.[V]
InChIInChI=1S/C8H11.3ClH.V/c1-6-4-5-7(2)8(6)3;;;;/h4-5H,1-3H3;3*1H;/q-1;;;;
InChIKeyIUCOALDDIYQRFO-UHFFFAOYSA-N
MW267.50 g/mol
LogP3.59
Rot. Bonds

About 1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride

1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride (PubChem CID 173257139) has the molecular formula C8H14Cl3V- and a molecular weight of 267.50 g/mol. Its IUPAC name is 1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride.

Molecular Properties

Compound Name1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride
PubChem CID173257139
Molecular FormulaC8H14Cl3V-
Molecular Weight267.50 g/mol
Exact Mass265.96
IUPAC Name1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride
SMILESCc1cc[c-](C)c1C.Cl.Cl.Cl.[V]
InChIInChI=1S/C8H11.3ClH.V/c1-6-4-5-7(2)8(6)3;;;;/h4-5H,1-3H3;3*1H;/q-1;;;;
InChIKeyIUCOALDDIYQRFO-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 53.59
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
bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride
CID 88619957
dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene
CID 154423024
CID 173055569
CID 173055569
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
cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)
CID 172687333
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
sodium 1,2,3,5-tetramethylcyclopenta-1,3-diene
CID 86585831
bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide
CID 159332319

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride?
The IUPAC name of 1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride (CID 173257139) is 1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride.
What is the SMILES notation for 1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride?
The canonical SMILES for 1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride is Cc1cc[c-](C)c1C.Cl.Cl.Cl.[V].
What is the InChIKey of 1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride?
The InChIKey is IUCOALDDIYQRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.3ClH.V/c1-6-4-5-7(2)8(6)3;;;;/h4-5H,1-3H3;3*1H;/q-1;;;;.
What are the key properties of 1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride?
1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride has a molecular weight of 267.50 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride is sourced from PubChem (CID 173257139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).