2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride

C14H18Cl3V- — CID 173225803

IUPAC2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride
SMILESCC(C)(C1=[C-]CC=C1)c1ccccc1.Cl.Cl.Cl.[V]
InChIInChI=1S/C14H15.3ClH.V/c1-14(2,13-10-6-7-11-13)12-8-4-3-5-9-12;;;;/h3-6,8-10H,7H2,1-2H3;3*1H;/q-1;;;;
InChIKeyUUTQKZWULSDEJL-UHFFFAOYSA-N
MW343.60 g/mol
LogP4.92
Rot. Bonds2

About 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride

2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride (PubChem CID 173225803) has the molecular formula C14H18Cl3V- and a molecular weight of 343.60 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride
PubChem CID173225803
Molecular FormulaC14H18Cl3V-
Molecular Weight343.60 g/mol
Exact Mass341.99
IUPAC Name2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride
SMILESCC(C)(C1=[C-]CC=C1)c1ccccc1.Cl.Cl.Cl.[V]
InChIInChI=1S/C14H15.3ClH.V/c1-14(2,13-10-6-7-11-13)12-8-4-3-5-9-12;;;;/h3-6,8-10H,7H2,1-2H3;3*1H;/q-1;;;;
InChIKeyUUTQKZWULSDEJL-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride 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

1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride
CID 173325436
1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;titanium;trihydrochloride
CID 173325378
(1-cyclopenta-1,4-dien-1-yl-1-phenylbutyl)benzene;zirconium(3+);dichloride
CID 175553841
2-tert-butylcyclopenta-1,3-diene;zirconium;hydrochloride
CID 175020191
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]benzene;titanium(3+);dichloride
CID 87977778
bis(2-tert-butylcyclopenta-1,3-diene);bis(2-fluorophenol);zirconium(2+)
CID 22676064
bis(2-tert-butylcyclopenta-1,3-diene);diphenylsilylidenezirconium(2+);dichloride
CID 88592670
bis(2-(2,2,3-trimethylpentan-3-yl)cyclopenta-1,3-diene);zirconium(2+);dihydrochloride
CID 174241252
bis(2-tert-butylcyclopenta-1,3-diene);hafnium;hydride
CID 173149571
bis(2-tert-butylcyclopenta-1,3-diene);bis(zirconium(2+));dichloride
CID 23212513
2-phenylpropan-2-ylbenzene
CID 13065
benzene;2-tert-butylcyclopenta-1,3-diene;3-tert-butylphenol;carbanide;titanium(3+);dihydrochloride
CID 174408670

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride?
The IUPAC name of 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride (CID 173225803) is 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride is CC(C)(C1=[C-]CC=C1)c1ccccc1.Cl.Cl.Cl.[V].
What is the InChIKey of 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride?
The InChIKey is UUTQKZWULSDEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15.3ClH.V/c1-14(2,13-10-6-7-11-13)12-8-4-3-5-9-12;;;;/h3-6,8-10H,7H2,1-2H3;3*1H;/q-1;;;;.
What are the key properties of 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride?
2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride has a molecular weight of 343.60 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride is sourced from PubChem (CID 173225803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).