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

C9H14ClO2V- — CID 19611921

IUPACcyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride
SMILESCC(C)(C)[O-].O=[V+2].[C-]1=CC=CC1.[Cl-]
InChIInChI=1S/C5H5.C4H9O.ClH.O.V/c1-2-4-5-3-1;1-4(2,3)5;;;/h1-3H,4H2;1-3H3;1H;;/q2*-1;;;+2/p-1
InChIKeyAUTPYUQDIQVCAH-UHFFFAOYSA-M
MW240.61 g/mol
LogP-1.67
Rot. Bonds

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

cyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride (PubChem CID 19611921) has the molecular formula C9H14ClO2V- and a molecular weight of 240.61 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride
PubChem CID19611921
Molecular FormulaC9H14ClO2V-
Molecular Weight240.61 g/mol
Exact Mass240.01
IUPAC Namecyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride
SMILESCC(C)(C)[O-].O=[V+2].[C-]1=CC=CC1.[Cl-]
InChIInChI=1S/C5H5.C4H9O.ClH.O.V/c1-2-4-5-3-1;1-4(2,3)5;;;/h1-3H,4H2;1-3H3;1H;;/q2*-1;;;+2/p-1
InChIKeyAUTPYUQDIQVCAH-UHFFFAOYSA-M
XLogP-1.67
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 5-1.67
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;2-methylpropan-2-olate;oxovanadium(2+);chloride?
The IUPAC name of cyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride (CID 19611921) is cyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride?
The canonical SMILES for cyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride is CC(C)(C)[O-].O=[V+2].[C-]1=CC=CC1.[Cl-].
What is the InChIKey of cyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride?
The InChIKey is AUTPYUQDIQVCAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5.C4H9O.ClH.O.V/c1-2-4-5-3-1;1-4(2,3)5;;;/h1-3H,4H2;1-3H3;1H;;/q2*-1;;;+2/p-1.
What are the key properties of cyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride?
cyclopenta-1,3-diene;2-methylpropan-2-olate;oxovanadium(2+);chloride has a molecular weight of 240.61 g/mol, XLogP of -1.67, 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;2-methylpropan-2-olate;oxovanadium(2+);chloride is sourced from PubChem (CID 19611921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).