hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid

C5H18O6 — CID 159913262

IUPAChydron;methane;molecular hydrogen;oxido formate;peroxyformic acid
SMILESC.C.C.O=COO.O=CO[O-].[H+].[H][H]
InChIInChI=1S/2CH2O3.3CH4.H2/c2*2-1-4-3;;;;/h2*1,3H;3*1H4;1H
InChIKeyNXLJLVPQRJRYSS-UHFFFAOYSA-N
MW174.19 g/mol
LogP0.33
Rot. Bonds2

About hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid

hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid (PubChem CID 159913262) has the molecular formula C5H18O6 and a molecular weight of 174.19 g/mol. Its IUPAC name is hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid.

Molecular Properties

Compound Namehydron;methane;molecular hydrogen;oxido formate;peroxyformic acid
PubChem CID159913262
Molecular FormulaC5H18O6
Molecular Weight174.19 g/mol
Exact Mass174.11
IUPAC Namehydron;methane;molecular hydrogen;oxido formate;peroxyformic acid
SMILESC.C.C.O=COO.O=CO[O-].[H+].[H][H]
InChIInChI=1S/2CH2O3.3CH4.H2/c2*2-1-4-3;;;;/h2*1,3H;3*1H4;1H
InChIKeyNXLJLVPQRJRYSS-UHFFFAOYSA-N
XLogP0.33
TPSA95.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydron;molecular hydrogen;oxido formate;peroxyformic acid
CID 169425017
bis(carbon dioxide);hydron;molecular hydrogen;oxido formate;peroxyformic acid;hydrate
CID 159582809
methane;molecular hydrogen;peroxyformic acid
CID 159099454
potassium;tris(carbon dioxide);formic acid;hydride;hydron;molecular hydrogen;oxido formate;peroxyformic acid;potassiopotassium;carbonate;hydroxide;hydrate
CID 158010880
azanium;methane;oxido formate;trihydrate
CID 159969710
cyclopropane;peroxyformic acid
CID 87410844
CID 162499376
CID 162499376
peroxyformic acid;sulfooxy hydrogen sulfate
CID 174430614
nonan-1-amine;peroxyformic acid
CID 172825043
dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile
CID 158157610
selanyl formate
CID 173007921
hydron;methyl formate
CID 173190969

Frequently Asked Questions

What is the IUPAC name of hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid?
The IUPAC name of hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid (CID 159913262) is hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid.
What is the SMILES notation for hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid?
The canonical SMILES for hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid is C.C.C.O=COO.O=CO[O-].[H+].[H][H].
What is the InChIKey of hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid?
The InChIKey is NXLJLVPQRJRYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2O3.3CH4.H2/c2*2-1-4-3;;;;/h2*1,3H;3*1H4;1H.
What are the key properties of hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid?
hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid has a molecular weight of 174.19 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid is sourced from PubChem (CID 159913262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).