methoxycarbonyl methyl carbonate;triiodovanadium

C4H6I3O5V — CID 162163746

IUPACmethoxycarbonyl methyl carbonate;triiodovanadium
SMILESCOC(=O)OC(=O)OC.I[V](I)I
InChIInChI=1S/C4H6O5.3HI.V/c1-7-3(5)9-4(6)8-2;;;;/h1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyZMVNKJNPHSKUAR-UHFFFAOYSA-K
MW565.74 g/mol
LogP3.19
Rot. Bonds

About methoxycarbonyl methyl carbonate;triiodovanadium

methoxycarbonyl methyl carbonate;triiodovanadium (PubChem CID 162163746) has the molecular formula C4H6I3O5V and a molecular weight of 565.74 g/mol. Its IUPAC name is methoxycarbonyl methyl carbonate;triiodovanadium.

Molecular Properties

Compound Namemethoxycarbonyl methyl carbonate;triiodovanadium
PubChem CID162163746
Molecular FormulaC4H6I3O5V
Molecular Weight565.74 g/mol
Exact Mass565.68
IUPAC Namemethoxycarbonyl methyl carbonate;triiodovanadium
SMILESCOC(=O)OC(=O)OC.I[V](I)I
InChIInChI=1S/C4H6O5.3HI.V/c1-7-3(5)9-4(6)8-2;;;;/h1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyZMVNKJNPHSKUAR-UHFFFAOYSA-K
XLogP3.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.74
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze methoxycarbonyl methyl carbonate;triiodovanadium with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl carbonate;ethane
CID 160632176
magnesium;dimethyl carbonate;hydride
CID 173223307
3-O-methoxycarbonyl 1-O-methyl 2-methylpropanedioate
CID 135375113
methoxycarbonyl 2-methylbutan-2-yl carbonate
CID 170252146
hydroxy methyl carbonate
CID 158464551
methyl [(E)-4-oxopent-2-en-2-yl] carbonate
CID 10351945
methane;propan-2-one;triiodovanadium
CID 159919385
methyl carboniodidate
CID 87920262
sodium;hydride;methoxycarbonyl cyclopropanecarboxylate
CID 174775047
deuteride;methyl acetate;hydrate
CID 160772266
iodooxymethyl methyl carbonate
CID 90378493
dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899

Frequently Asked Questions

What is the IUPAC name of methoxycarbonyl methyl carbonate;triiodovanadium?
The IUPAC name of methoxycarbonyl methyl carbonate;triiodovanadium (CID 162163746) is methoxycarbonyl methyl carbonate;triiodovanadium.
What is the SMILES notation for methoxycarbonyl methyl carbonate;triiodovanadium?
The canonical SMILES for methoxycarbonyl methyl carbonate;triiodovanadium is COC(=O)OC(=O)OC.I[V](I)I.
What is the InChIKey of methoxycarbonyl methyl carbonate;triiodovanadium?
The InChIKey is ZMVNKJNPHSKUAR-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H6O5.3HI.V/c1-7-3(5)9-4(6)8-2;;;;/h1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of methoxycarbonyl methyl carbonate;triiodovanadium?
methoxycarbonyl methyl carbonate;triiodovanadium has a molecular weight of 565.74 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonyl methyl carbonate;triiodovanadium is sourced from PubChem (CID 162163746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).