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

C13H23Cl2O2V- — CID 19611936

IUPACcyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride
SMILESCC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[Cl-].[Cl-].[V+4]
InChIInChI=1S/C5H5.2C4H9O.2ClH.V/c1-2-4-5-3-1;2*1-4(2,3)5;;;/h1-3H,4H2;2*1-3H3;2*1H;/q3*-1;;;+4/p-2
InChIKeyLIFCLFUSYMQUKN-UHFFFAOYSA-L
MW333.18 g/mol
LogP-4.40
Rot. Bonds

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

cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride (PubChem CID 19611936) has the molecular formula C13H23Cl2O2V- and a molecular weight of 333.18 g/mol. Its IUPAC name is cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride
PubChem CID19611936
Molecular FormulaC13H23Cl2O2V-
Molecular Weight333.18 g/mol
Exact Mass332.05
IUPAC Namecyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride
SMILESCC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[Cl-].[Cl-].[V+4]
InChIInChI=1S/C5H5.2C4H9O.2ClH.V/c1-2-4-5-3-1;2*1-4(2,3)5;;;/h1-3H,4H2;2*1-3H3;2*1H;/q3*-1;;;+4/p-2
InChIKeyLIFCLFUSYMQUKN-UHFFFAOYSA-L
XLogP-4.40
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 5-4.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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);vanadium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride (CID 19611936) is cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride is CC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[Cl-].[Cl-].[V+4].
What is the InChIKey of cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride?
The InChIKey is LIFCLFUSYMQUKN-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5.2C4H9O.2ClH.V/c1-2-4-5-3-1;2*1-4(2,3)5;;;/h1-3H,4H2;2*1-3H3;2*1H;/q3*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride?
cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride has a molecular weight of 333.18 g/mol, XLogP of -4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(4+);dichloride is sourced from PubChem (CID 19611936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).