carbon dioxide;methane;molecular oxygen

C2H4O4 — CID 160944538

IUPACcarbon dioxide;methane;molecular oxygen
SMILESC.O=C=O.O=O
InChIInChI=1S/CO2.CH4.O2/c2-1-3;;1-2/h;1H4;
InChIKeyXEZGXVJMZBLMMG-UHFFFAOYSA-N
MW92.05 g/mol
LogP0.12
Rot. Bonds

About carbon dioxide;methane;molecular oxygen

carbon dioxide;methane;molecular oxygen (PubChem CID 160944538) has the molecular formula C2H4O4 and a molecular weight of 92.05 g/mol. Its IUPAC name is carbon dioxide;methane;molecular oxygen.

Molecular Properties

Compound Namecarbon dioxide;methane;molecular oxygen
PubChem CID160944538
Molecular FormulaC2H4O4
Molecular Weight92.05 g/mol
Exact Mass92.01
IUPAC Namecarbon dioxide;methane;molecular oxygen
SMILESC.O=C=O.O=O
InChIInChI=1S/CO2.CH4.O2/c2-1-3;;1-2/h;1H4;
InChIKeyXEZGXVJMZBLMMG-UHFFFAOYSA-N
XLogP0.12
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.05
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methane;molecular oxygen?
The IUPAC name of carbon dioxide;methane;molecular oxygen (CID 160944538) is carbon dioxide;methane;molecular oxygen.
What is the SMILES notation for carbon dioxide;methane;molecular oxygen?
The canonical SMILES for carbon dioxide;methane;molecular oxygen is C.O=C=O.O=O.
What is the InChIKey of carbon dioxide;methane;molecular oxygen?
The InChIKey is XEZGXVJMZBLMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/CO2.CH4.O2/c2-1-3;;1-2/h;1H4;.
What are the key properties of carbon dioxide;methane;molecular oxygen?
carbon dioxide;methane;molecular oxygen has a molecular weight of 92.05 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methane;molecular oxygen is sourced from PubChem (CID 160944538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).