cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+)

C17H32O3V — CID 18760433

IUPACcyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[V+4]
InChIInChI=1S/C5H5.3C4H9O.V/c1-2-4-5-3-1;3*1-4(2,3)5;/h1-3H,4H2;3*1-3H3;/q4*-1;+4
InChIKeyZLJZUORDKOQKPH-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.74
Rot. Bonds

About cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+)

cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+) (PubChem CID 18760433) has the molecular formula C17H32O3V and a molecular weight of 335.38 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+)
PubChem CID18760433
Molecular FormulaC17H32O3V
Molecular Weight335.38 g/mol
Exact Mass335.18
IUPAC Namecyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[V+4]
InChIInChI=1S/C5H5.3C4H9O.V/c1-2-4-5-3-1;3*1-4(2,3)5;/h1-3H,4H2;3*1-3H3;/q4*-1;+4
InChIKeyZLJZUORDKOQKPH-UHFFFAOYSA-N
XLogP1.74
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+)?
The IUPAC name of cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+) (CID 18760433) is cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+) is CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[V+4].
What is the InChIKey of cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+)?
The InChIKey is ZLJZUORDKOQKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C4H9O.V/c1-2-4-5-3-1;3*1-4(2,3)5;/h1-3H,4H2;3*1-3H3;/q4*-1;+4.
What are the key properties of cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+)?
cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+) has a molecular weight of 335.38 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;tris(2-methylpropan-2-olate);vanadium(4+) is sourced from PubChem (CID 18760433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).