methane;molecular hydrogen;peroxyformic acid

C11H44O3 — CID 159099454

IUPACmethane;molecular hydrogen;peroxyformic acid
SMILESC.C.C.C.C.C.C.C.C.C.O=COO.[H][H]
InChIInChI=1S/CH2O3.10CH4.H2/c2-1-4-3;;;;;;;;;;;/h1,3H;10*1H4;1H
InChIKeyKDCBRUUMKVTGHU-UHFFFAOYSA-N
MW224.47 g/mol
LogP6.24
Rot. Bonds1

About methane;molecular hydrogen;peroxyformic acid

methane;molecular hydrogen;peroxyformic acid (PubChem CID 159099454) has the molecular formula C11H44O3 and a molecular weight of 224.47 g/mol. Its IUPAC name is methane;molecular hydrogen;peroxyformic acid.

Molecular Properties

Compound Namemethane;molecular hydrogen;peroxyformic acid
PubChem CID159099454
Molecular FormulaC11H44O3
Molecular Weight224.47 g/mol
Exact Mass224.33
IUPAC Namemethane;molecular hydrogen;peroxyformic acid
SMILESC.C.C.C.C.C.C.C.C.C.O=COO.[H][H]
InChIInChI=1S/CH2O3.10CH4.H2/c2-1-4-3;;;;;;;;;;;/h1,3H;10*1H4;1H
InChIKeyKDCBRUUMKVTGHU-UHFFFAOYSA-N
XLogP6.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.47
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 methane;molecular hydrogen;peroxyformic acid?
The IUPAC name of methane;molecular hydrogen;peroxyformic acid (CID 159099454) is methane;molecular hydrogen;peroxyformic acid.
What is the SMILES notation for methane;molecular hydrogen;peroxyformic acid?
The canonical SMILES for methane;molecular hydrogen;peroxyformic acid is C.C.C.C.C.C.C.C.C.C.O=COO.[H][H].
What is the InChIKey of methane;molecular hydrogen;peroxyformic acid?
The InChIKey is KDCBRUUMKVTGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.10CH4.H2/c2-1-4-3;;;;;;;;;;;/h1,3H;10*1H4;1H.
What are the key properties of methane;molecular hydrogen;peroxyformic acid?
methane;molecular hydrogen;peroxyformic acid has a molecular weight of 224.47 g/mol, XLogP of 6.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular hydrogen;peroxyformic acid is sourced from PubChem (CID 159099454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).