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

C13H23O2V- — CID 18667912

IUPACcyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[V+2]
InChIInChI=1S/C5H5.2C4H9O.V/c1-2-4-5-3-1;2*1-4(2,3)5;/h1-3H,4H2;2*1-3H3;/q3*-1;+2
InChIKeyLFDAISOFFUYOLV-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.59
Rot. Bonds

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

cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+) (PubChem CID 18667912) has the molecular formula C13H23O2V- and a molecular weight of 262.27 g/mol. Its IUPAC name is cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+)
PubChem CID18667912
Molecular FormulaC13H23O2V-
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Namecyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[V+2]
InChIInChI=1S/C5H5.2C4H9O.V/c1-2-4-5-3-1;2*1-4(2,3)5;/h1-3H,4H2;2*1-3H3;/q3*-1;+2
InChIKeyLFDAISOFFUYOLV-UHFFFAOYSA-N
XLogP1.59
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.59
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(2+)?
The IUPAC name of cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+) (CID 18667912) is cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+) is CC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[V+2].
What is the InChIKey of cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+)?
The InChIKey is LFDAISOFFUYOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C4H9O.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);vanadium(2+)?
cyclopenta-1,3-diene;bis(2-methylpropan-2-olate);vanadium(2+) has a molecular weight of 262.27 g/mol, XLogP of 1.59, 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(2+) is sourced from PubChem (CID 18667912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).