4-acetyl-3,4-dimethyloxetan-2-one;vanadium

C7H10O3V — CID 159022945

IUPAC4-acetyl-3,4-dimethyloxetan-2-one;vanadium
SMILESCC(=O)C1(C)OC(=O)C1C.[V]
InChIInChI=1S/C7H10O3.V/c1-4-6(9)10-7(4,3)5(2)8;/h4H,1-3H3;
InChIKeyJTXSAPVTXGKHPQ-UHFFFAOYSA-N
MW193.10 g/mol
LogP0.52
Rot. Bonds1

About 4-acetyl-3,4-dimethyloxetan-2-one;vanadium

4-acetyl-3,4-dimethyloxetan-2-one;vanadium (PubChem CID 159022945) has the molecular formula C7H10O3V and a molecular weight of 193.10 g/mol. Its IUPAC name is 4-acetyl-3,4-dimethyloxetan-2-one;vanadium.

Molecular Properties

Compound Name4-acetyl-3,4-dimethyloxetan-2-one;vanadium
PubChem CID159022945
Molecular FormulaC7H10O3V
Molecular Weight193.10 g/mol
Exact Mass193.01
IUPAC Name4-acetyl-3,4-dimethyloxetan-2-one;vanadium
SMILESCC(=O)C1(C)OC(=O)C1C.[V]
InChIInChI=1S/C7H10O3.V/c1-4-6(9)10-7(4,3)5(2)8;/h4H,1-3H3;
InChIKeyJTXSAPVTXGKHPQ-UHFFFAOYSA-N
XLogP0.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-acetyl-3,4-dimethyloxetan-2-one;vanadium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,4-dimethyloxetan-2-one;vanadium?
The IUPAC name of 4-acetyl-3,4-dimethyloxetan-2-one;vanadium (CID 159022945) is 4-acetyl-3,4-dimethyloxetan-2-one;vanadium.
What is the SMILES notation for 4-acetyl-3,4-dimethyloxetan-2-one;vanadium?
The canonical SMILES for 4-acetyl-3,4-dimethyloxetan-2-one;vanadium is CC(=O)C1(C)OC(=O)C1C.[V].
What is the InChIKey of 4-acetyl-3,4-dimethyloxetan-2-one;vanadium?
The InChIKey is JTXSAPVTXGKHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.V/c1-4-6(9)10-7(4,3)5(2)8;/h4H,1-3H3;.
What are the key properties of 4-acetyl-3,4-dimethyloxetan-2-one;vanadium?
4-acetyl-3,4-dimethyloxetan-2-one;vanadium has a molecular weight of 193.10 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,4-dimethyloxetan-2-one;vanadium is sourced from PubChem (CID 159022945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).