2-methylpropanoic acid;triiodovanadium

C4H8I3O2V — CID 158772262

IUPAC2-methylpropanoic acid;triiodovanadium
SMILESCC(C)C(=O)O.I[V](I)I
InChIInChI=1S/C4H8O2.3HI.V/c1-3(2)4(5)6;;;;/h3H,1-2H3,(H,5,6);3*1H;/q;;;;+3/p-3
InChIKeyIQAFLXRTIYAGSK-UHFFFAOYSA-K
MW519.76 g/mol
LogP3.38
Rot. Bonds1

About 2-methylpropanoic acid;triiodovanadium

2-methylpropanoic acid;triiodovanadium (PubChem CID 158772262) has the molecular formula C4H8I3O2V and a molecular weight of 519.76 g/mol. Its IUPAC name is 2-methylpropanoic acid;triiodovanadium.

Molecular Properties

Compound Name2-methylpropanoic acid;triiodovanadium
PubChem CID158772262
Molecular FormulaC4H8I3O2V
Molecular Weight519.76 g/mol
Exact Mass519.71
IUPAC Name2-methylpropanoic acid;triiodovanadium
SMILESCC(C)C(=O)O.I[V](I)I
InChIInChI=1S/C4H8O2.3HI.V/c1-3(2)4(5)6;;;;/h3H,1-2H3,(H,5,6);3*1H;/q;;;;+3/p-3
InChIKeyIQAFLXRTIYAGSK-UHFFFAOYSA-K
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methylpropanoic acid
CID 173073412
azane;2-methylpropanoic acid;hydrate
CID 161320294
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
dichloromethane;2-methylpropanoic acid
CID 161358956
2-methylpropanoic acid;sulfuric acid
CID 160710390
bicyclo[2.1.0]pentane;2-methylpropanoic acid
CID 174730987
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoic acid;triiodovanadium?
The IUPAC name of 2-methylpropanoic acid;triiodovanadium (CID 158772262) is 2-methylpropanoic acid;triiodovanadium.
What is the SMILES notation for 2-methylpropanoic acid;triiodovanadium?
The canonical SMILES for 2-methylpropanoic acid;triiodovanadium is CC(C)C(=O)O.I[V](I)I.
What is the InChIKey of 2-methylpropanoic acid;triiodovanadium?
The InChIKey is IQAFLXRTIYAGSK-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H8O2.3HI.V/c1-3(2)4(5)6;;;;/h3H,1-2H3,(H,5,6);3*1H;/q;;;;+3/p-3.
What are the key properties of 2-methylpropanoic acid;triiodovanadium?
2-methylpropanoic acid;triiodovanadium has a molecular weight of 519.76 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid;triiodovanadium is sourced from PubChem (CID 158772262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).