methane carbonate

C2H4O3-2 — CID 22259548

IUPACmethane carbonate
SMILESC.O=C([O-])[O-]
InChIInChI=1S/CH2O3.CH4/c2-1(3)4;/h(H2,2,3,4);1H4/p-2
InChIKeyIBSUNWMXSIQLOV-UHFFFAOYSA-L
MW76.05 g/mol
LogP-1.81
Rot. Bonds

About methane carbonate

methane carbonate (PubChem CID 22259548) has the molecular formula C2H4O3-2 and a molecular weight of 76.05 g/mol. Its IUPAC name is methane carbonate.

Molecular Properties

Compound Namemethane carbonate
PubChem CID22259548
Molecular FormulaC2H4O3-2
Molecular Weight76.05 g/mol
Exact Mass76.02
IUPAC Namemethane carbonate
SMILESC.O=C([O-])[O-]
InChIInChI=1S/CH2O3.CH4/c2-1(3)4;/h(H2,2,3,4);1H4/p-2
InChIKeyIBSUNWMXSIQLOV-UHFFFAOYSA-L
XLogP-1.81
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.05
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methane carbonate 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 methane carbonate?
The IUPAC name of methane carbonate (CID 22259548) is methane carbonate.
What is the SMILES notation for methane carbonate?
The canonical SMILES for methane carbonate is C.O=C([O-])[O-].
What is the InChIKey of methane carbonate?
The InChIKey is IBSUNWMXSIQLOV-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.CH4/c2-1(3)4;/h(H2,2,3,4);1H4/p-2.
What are the key properties of methane carbonate?
methane carbonate has a molecular weight of 76.05 g/mol, XLogP of -1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane carbonate is sourced from PubChem (CID 22259548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).