methane;methyl carbonate;molecular iodine

C3H7I2O3- — CID 159941890

IUPACmethane;methyl carbonate;molecular iodine
SMILESC.COC(=O)[O-].II
InChIInChI=1S/C2H4O3.CH4.I2/c1-5-2(3)4;;1-2/h1H3,(H,3,4);1H4;/p-1
InChIKeyOAZGVEOCRIQSNY-UHFFFAOYSA-M
MW344.89 g/mol
LogP1.38
Rot. Bonds

About methane;methyl carbonate;molecular iodine

methane;methyl carbonate;molecular iodine (PubChem CID 159941890) has the molecular formula C3H7I2O3- and a molecular weight of 344.89 g/mol. Its IUPAC name is methane;methyl carbonate;molecular iodine.

Molecular Properties

Compound Namemethane;methyl carbonate;molecular iodine
PubChem CID159941890
Molecular FormulaC3H7I2O3-
Molecular Weight344.89 g/mol
Exact Mass344.85
IUPAC Namemethane;methyl carbonate;molecular iodine
SMILESC.COC(=O)[O-].II
InChIInChI=1S/C2H4O3.CH4.I2/c1-5-2(3)4;;1-2/h1H3,(H,3,4);1H4;/p-1
InChIKeyOAZGVEOCRIQSNY-UHFFFAOYSA-M
XLogP1.38
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 159323081
2-methylbutan-2-ylazanium;methyl carbonate
CID 21288591
methyl carboniodidate
CID 87920262
methane;methyl acetate
CID 162094565
methane;methyl acetate
CID 158871569
bis(2-methoxyethyl)-dimethylazanium;methyl carbonate
CID 167445577
sodium iodo carbonate
CID 174948580
3-methoxy-3-oxo(313C)prop-1-en-2-olate
CID 102061344
methyl acetate;ruthenium
CID 160799101
methyl boranylformate
CID 4077688
dimethyl oxalate
CID 11120
dimethyl(dioctyl)azanium;methyl carbonate
CID 160720913

Frequently Asked Questions

What is the IUPAC name of methane;methyl carbonate;molecular iodine?
The IUPAC name of methane;methyl carbonate;molecular iodine (CID 159941890) is methane;methyl carbonate;molecular iodine.
What is the SMILES notation for methane;methyl carbonate;molecular iodine?
The canonical SMILES for methane;methyl carbonate;molecular iodine is C.COC(=O)[O-].II.
What is the InChIKey of methane;methyl carbonate;molecular iodine?
The InChIKey is OAZGVEOCRIQSNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O3.CH4.I2/c1-5-2(3)4;;1-2/h1H3,(H,3,4);1H4;/p-1.
What are the key properties of methane;methyl carbonate;molecular iodine?
methane;methyl carbonate;molecular iodine has a molecular weight of 344.89 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl carbonate;molecular iodine is sourced from PubChem (CID 159941890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).