cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+)

C13H23O3V- — CID 18781774

IUPACcyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].O=[V+2].[C-]1=CC=CC1
InChIInChI=1S/C5H5.2C4H9O.O.V/c1-2-4-5-3-1;2*1-4(2,3)5;;/h1-3H,4H2;2*1-3H3;;/q3*-1;;+2
InChIKeyPZGSEBLPNYNWAX-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.47
Rot. Bonds

About cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+)

cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+) (PubChem CID 18781774) has the molecular formula C13H23O3V- and a molecular weight of 278.27 g/mol. Its IUPAC name is cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+)
PubChem CID18781774
Molecular FormulaC13H23O3V-
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Namecyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].O=[V+2].[C-]1=CC=CC1
InChIInChI=1S/C5H5.2C4H9O.O.V/c1-2-4-5-3-1;2*1-4(2,3)5;;/h1-3H,4H2;2*1-3H3;;/q3*-1;;+2
InChIKeyPZGSEBLPNYNWAX-UHFFFAOYSA-N
XLogP1.47
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.47
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;bis(2-methylpropan-2-olate);oxovanadium(2+)?
The IUPAC name of cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+) (CID 18781774) is cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+) is CC(C)(C)[O-].CC(C)(C)[O-].O=[V+2].[C-]1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+)?
The InChIKey is PZGSEBLPNYNWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C4H9O.O.V/c1-2-4-5-3-1;2*1-4(2,3)5;;/h1-3H,4H2;2*1-3H3;;/q3*-1;;+2.
What are the key properties of cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+)?
cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);oxovanadium(2+) has a molecular weight of 278.27 g/mol, XLogP of 1.47, 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;bis(2-methylpropan-2-olate);oxovanadium(2+) is sourced from PubChem (CID 18781774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).