hydrogen peroxide;methane;molecular oxygen

C3H16O8 — CID 161121737

IUPAChydrogen peroxide;methane;molecular oxygen
SMILESC.C.C.O=O.O=O.OO.OO
InChIInChI=1S/3CH4.2H2O2.2O2/c;;;4*1-2/h3*1H4;2*1-2H;;
InChIKeyULARFDOKCGOTRH-UHFFFAOYSA-N
MW180.15 g/mol
LogP2.08
Rot. Bonds

About hydrogen peroxide;methane;molecular oxygen

hydrogen peroxide;methane;molecular oxygen (PubChem CID 161121737) has the molecular formula C3H16O8 and a molecular weight of 180.15 g/mol. Its IUPAC name is hydrogen peroxide;methane;molecular oxygen.

Molecular Properties

Compound Namehydrogen peroxide;methane;molecular oxygen
PubChem CID161121737
Molecular FormulaC3H16O8
Molecular Weight180.15 g/mol
Exact Mass180.08
IUPAC Namehydrogen peroxide;methane;molecular oxygen
SMILESC.C.C.O=O.O=O.OO.OO
InChIInChI=1S/3CH4.2H2O2.2O2/c;;;4*1-2/h3*1H4;2*1-2H;;
InChIKeyULARFDOKCGOTRH-UHFFFAOYSA-N
XLogP2.08
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;methane;molecular oxygen?
The IUPAC name of hydrogen peroxide;methane;molecular oxygen (CID 161121737) is hydrogen peroxide;methane;molecular oxygen.
What is the SMILES notation for hydrogen peroxide;methane;molecular oxygen?
The canonical SMILES for hydrogen peroxide;methane;molecular oxygen is C.C.C.O=O.O=O.OO.OO.
What is the InChIKey of hydrogen peroxide;methane;molecular oxygen?
The InChIKey is ULARFDOKCGOTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH4.2H2O2.2O2/c;;;4*1-2/h3*1H4;2*1-2H;;.
What are the key properties of hydrogen peroxide;methane;molecular oxygen?
hydrogen peroxide;methane;molecular oxygen has a molecular weight of 180.15 g/mol, XLogP of 2.08, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;methane;molecular oxygen is sourced from PubChem (CID 161121737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).