carbon dioxide;formaldehyde;molecular hydrogen;hydrate

C2H6O4 — CID 158435907

IUPACcarbon dioxide;formaldehyde;molecular hydrogen;hydrate
SMILESC=O.O.O=C=O.[H][H]
InChIInChI=1S/CO2.CH2O.H2O.H2/c2-1-3;1-2;;/h;1H2;1H2;1H
InChIKeyWJBQKWASDHXKDX-UHFFFAOYSA-N
MW94.07 g/mol
LogP-1.35
Rot. Bonds

About carbon dioxide;formaldehyde;molecular hydrogen;hydrate

carbon dioxide;formaldehyde;molecular hydrogen;hydrate (PubChem CID 158435907) has the molecular formula C2H6O4 and a molecular weight of 94.07 g/mol. Its IUPAC name is carbon dioxide;formaldehyde;molecular hydrogen;hydrate.

Molecular Properties

Compound Namecarbon dioxide;formaldehyde;molecular hydrogen;hydrate
PubChem CID158435907
Molecular FormulaC2H6O4
Molecular Weight94.07 g/mol
Exact Mass94.03
IUPAC Namecarbon dioxide;formaldehyde;molecular hydrogen;hydrate
SMILESC=O.O.O=C=O.[H][H]
InChIInChI=1S/CO2.CH2O.H2O.H2/c2-1-3;1-2;;/h;1H2;1H2;1H
InChIKeyWJBQKWASDHXKDX-UHFFFAOYSA-N
XLogP-1.35
TPSA82.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.07
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze carbon dioxide;formaldehyde;molecular hydrogen;hydrate 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

argon;carbon dioxide;hydrate
CID 159496559
CID 162300786
CID 162300786
carbon dioxide;carbon monoxide;methane;molecular hydrogen;hydrate;hydroiodide
CID 159931681
oxidanium;azane;carbon dioxide;methane;molecular hydrogen;molecular nitrogen;hydrate
CID 161013492
azane;tris(carbon dioxide);deuterium monohydride;methane;heptahydrate
CID 161349818
azane;carbon dioxide;ethene;methane;hydrate
CID 172744439
bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate
CID 159305063
bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate
CID 159377395
carbanide;tris(carbon dioxide);scandium(3+);hydrate
CID 163198451
azane;carbon dioxide;ethene
CID 174974585
bis(carbon dioxide);hydron;methane;hydrate
CID 159112551
acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate
CID 161327837

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;formaldehyde;molecular hydrogen;hydrate?
The IUPAC name of carbon dioxide;formaldehyde;molecular hydrogen;hydrate (CID 158435907) is carbon dioxide;formaldehyde;molecular hydrogen;hydrate.
What is the SMILES notation for carbon dioxide;formaldehyde;molecular hydrogen;hydrate?
The canonical SMILES for carbon dioxide;formaldehyde;molecular hydrogen;hydrate is C=O.O.O=C=O.[H][H].
What is the InChIKey of carbon dioxide;formaldehyde;molecular hydrogen;hydrate?
The InChIKey is WJBQKWASDHXKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/CO2.CH2O.H2O.H2/c2-1-3;1-2;;/h;1H2;1H2;1H.
What are the key properties of carbon dioxide;formaldehyde;molecular hydrogen;hydrate?
carbon dioxide;formaldehyde;molecular hydrogen;hydrate has a molecular weight of 94.07 g/mol, XLogP of -1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;formaldehyde;molecular hydrogen;hydrate is sourced from PubChem (CID 158435907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).