methane;methanol;molecular oxygen;hydrate

C2H10O4 — CID 160777205

IUPACmethane;methanol;molecular oxygen;hydrate
SMILESC.CO.O.O=O
InChIInChI=1S/CH4O.CH4.O2.H2O/c1-2;;1-2;/h2H,1H3;1H4;;1H2
InChIKeyFXWLLDQGLXWUFD-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.51
Rot. Bonds

About methane;methanol;molecular oxygen;hydrate

methane;methanol;molecular oxygen;hydrate (PubChem CID 160777205) has the molecular formula C2H10O4 and a molecular weight of 98.10 g/mol. Its IUPAC name is methane;methanol;molecular oxygen;hydrate.

Molecular Properties

Compound Namemethane;methanol;molecular oxygen;hydrate
PubChem CID160777205
Molecular FormulaC2H10O4
Molecular Weight98.10 g/mol
Exact Mass98.06
IUPAC Namemethane;methanol;molecular oxygen;hydrate
SMILESC.CO.O.O=O
InChIInChI=1S/CH4O.CH4.O2.H2O/c1-2;;1-2;/h2H,1H3;1H4;;1H2
InChIKeyFXWLLDQGLXWUFD-UHFFFAOYSA-N
XLogP-0.51
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;methanol;molecular oxygen;hydrate?
The IUPAC name of methane;methanol;molecular oxygen;hydrate (CID 160777205) is methane;methanol;molecular oxygen;hydrate.
What is the SMILES notation for methane;methanol;molecular oxygen;hydrate?
The canonical SMILES for methane;methanol;molecular oxygen;hydrate is C.CO.O.O=O.
What is the InChIKey of methane;methanol;molecular oxygen;hydrate?
The InChIKey is FXWLLDQGLXWUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.CH4.O2.H2O/c1-2;;1-2;/h2H,1H3;1H4;;1H2.
What are the key properties of methane;methanol;molecular oxygen;hydrate?
methane;methanol;molecular oxygen;hydrate has a molecular weight of 98.10 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanol;molecular oxygen;hydrate is sourced from PubChem (CID 160777205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).