carbon dioxide;methane

C4H12O2 — CID 157336071

IUPACcarbon dioxide;methane
SMILESC.C.C.O=C=O
InChIInChI=1S/CO2.3CH4/c2-1-3;;;/h;3*1H4
InChIKeyKRZRGSLLNUOYST-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.32
Rot. Bonds

About carbon dioxide;methane

carbon dioxide;methane (PubChem CID 157336071) has the molecular formula C4H12O2 and a molecular weight of 92.14 g/mol. Its IUPAC name is carbon dioxide;methane.

Molecular Properties

Compound Namecarbon dioxide;methane
PubChem CID157336071
Molecular FormulaC4H12O2
Molecular Weight92.14 g/mol
Exact Mass92.08
IUPAC Namecarbon dioxide;methane
SMILESC.C.C.O=C=O
InChIInChI=1S/CO2.3CH4/c2-1-3;;;/h;3*1H4
InChIKeyKRZRGSLLNUOYST-UHFFFAOYSA-N
XLogP1.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methane?
The IUPAC name of carbon dioxide;methane (CID 157336071) is carbon dioxide;methane.
What is the SMILES notation for carbon dioxide;methane?
The canonical SMILES for carbon dioxide;methane is C.C.C.O=C=O.
What is the InChIKey of carbon dioxide;methane?
The InChIKey is KRZRGSLLNUOYST-UHFFFAOYSA-N. The full InChI is InChI=1S/CO2.3CH4/c2-1-3;;;/h;3*1H4.
What are the key properties of carbon dioxide;methane?
carbon dioxide;methane has a molecular weight of 92.14 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methane is sourced from PubChem (CID 157336071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).