tris(2-methylpropan-1-olate);oxygen(2-);vanadium

C12H27O4V-5 — CID 22290025

IUPACtris(2-methylpropan-1-olate);oxygen(2-);vanadium
SMILESCC(C)C[O-].CC(C)C[O-].CC(C)C[O-].[O-2].[V]
InChIInChI=1S/3C4H9O.O.V/c3*1-4(2)3-5;;/h3*4H,3H2,1-2H3;;/q3*-1;-2;
InChIKeyNTKVBYXMNIYNML-UHFFFAOYSA-N
MW286.29 g/mol
LogP-0.11
Rot. Bonds3

About tris(2-methylpropan-1-olate);oxygen(2-);vanadium

tris(2-methylpropan-1-olate);oxygen(2-);vanadium (PubChem CID 22290025) has the molecular formula C12H27O4V-5 and a molecular weight of 286.29 g/mol. Its IUPAC name is tris(2-methylpropan-1-olate);oxygen(2-);vanadium.

Molecular Properties

Compound Nametris(2-methylpropan-1-olate);oxygen(2-);vanadium
PubChem CID22290025
Molecular FormulaC12H27O4V-5
Molecular Weight286.29 g/mol
Exact Mass286.14
IUPAC Nametris(2-methylpropan-1-olate);oxygen(2-);vanadium
SMILESCC(C)C[O-].CC(C)C[O-].CC(C)C[O-].[O-2].[V]
InChIInChI=1S/3C4H9O.O.V/c3*1-4(2)3-5;;/h3*4H,3H2,1-2H3;;/q3*-1;-2;
InChIKeyNTKVBYXMNIYNML-UHFFFAOYSA-N
XLogP-0.11
TPSA97.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tris(2-methylpropan-1-olate);zirconium(3+)
CID 175879819
bis(2-methylpropan-1-olate);bis(tetramethylazanium)
CID 140615462
2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide
CID 170782885
magnesium;2-methylpropan-1-olate;propane
CID 154075044
potassium;2-methylpropan-1-ol;2-methylpropan-1-olate
CID 23676528
diazanium;2-methylpropan-1-olate;nitrate
CID 141168982
benzene;tris(2-methylpropan-1-olate);titanium(4+)
CID 162265312
aluminum;bis(2-methylpropan-1-olate);octadecanoate
CID 102269418
sodium 2-methylbutan-1-olate
CID 23683800
tetrakis(2-methylbutan-1-olate);titanium(4+)
CID 22496767
ethanolate;tetrakis(propan-2-olate);bis(silicon(4+))
CID 158885954
2-methylbutane
CID 158117812

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropan-1-olate);oxygen(2-);vanadium?
The IUPAC name of tris(2-methylpropan-1-olate);oxygen(2-);vanadium (CID 22290025) is tris(2-methylpropan-1-olate);oxygen(2-);vanadium.
What is the SMILES notation for tris(2-methylpropan-1-olate);oxygen(2-);vanadium?
The canonical SMILES for tris(2-methylpropan-1-olate);oxygen(2-);vanadium is CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].[O-2].[V].
What is the InChIKey of tris(2-methylpropan-1-olate);oxygen(2-);vanadium?
The InChIKey is NTKVBYXMNIYNML-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.O.V/c3*1-4(2)3-5;;/h3*4H,3H2,1-2H3;;/q3*-1;-2;.
What are the key properties of tris(2-methylpropan-1-olate);oxygen(2-);vanadium?
tris(2-methylpropan-1-olate);oxygen(2-);vanadium has a molecular weight of 286.29 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropan-1-olate);oxygen(2-);vanadium is sourced from PubChem (CID 22290025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).