bis(carbon dioxide);methane;molecular oxygen

C3H4O6 — CID 159780754

IUPACbis(carbon dioxide);methane;molecular oxygen
SMILESC.O=C=O.O=C=O.O=O
InChIInChI=1S/2CO2.CH4.O2/c2*2-1-3;;1-2/h;;1H4;
InChIKeyNHIFVUORVRRFBR-UHFFFAOYSA-N
MW136.06 g/mol
LogP-0.46
Rot. Bonds

About bis(carbon dioxide);methane;molecular oxygen

bis(carbon dioxide);methane;molecular oxygen (PubChem CID 159780754) has the molecular formula C3H4O6 and a molecular weight of 136.06 g/mol. Its IUPAC name is bis(carbon dioxide);methane;molecular oxygen.

Molecular Properties

Compound Namebis(carbon dioxide);methane;molecular oxygen
PubChem CID159780754
Molecular FormulaC3H4O6
Molecular Weight136.06 g/mol
Exact Mass136.00
IUPAC Namebis(carbon dioxide);methane;molecular oxygen
SMILESC.O=C=O.O=C=O.O=O
InChIInChI=1S/2CO2.CH4.O2/c2*2-1-3;;1-2/h;;1H4;
InChIKeyNHIFVUORVRRFBR-UHFFFAOYSA-N
XLogP-0.46
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.06
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);methane;molecular oxygen?
The IUPAC name of bis(carbon dioxide);methane;molecular oxygen (CID 159780754) is bis(carbon dioxide);methane;molecular oxygen.
What is the SMILES notation for bis(carbon dioxide);methane;molecular oxygen?
The canonical SMILES for bis(carbon dioxide);methane;molecular oxygen is C.O=C=O.O=C=O.O=O.
What is the InChIKey of bis(carbon dioxide);methane;molecular oxygen?
The InChIKey is NHIFVUORVRRFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2CO2.CH4.O2/c2*2-1-3;;1-2/h;;1H4;.
What are the key properties of bis(carbon dioxide);methane;molecular oxygen?
bis(carbon dioxide);methane;molecular oxygen has a molecular weight of 136.06 g/mol, XLogP of -0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);methane;molecular oxygen is sourced from PubChem (CID 159780754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).