carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate

C25H94N8O6 — CID 176517732

IUPACcarbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.N#N.N#N.N#N.NN=O.O.O=C=O.[C-]#[O+].[C-]#[O+].[H][H]
InChIInChI=1S/CO2.2CO.22CH4.H2N2O.3N2.H2O.H2/c2-1-3;2*1-2;;;;;;;;;;;;;;;;;;;;;;;1-2-3;3*1-2;;/h;;;22*1H4;(H2,1,3);;;;1H2;1H
InChIKeyWMTSHADSIGNQGL-UHFFFAOYSA-N
MW603.08 g/mol
LogP12.47
Rot. Bonds

About carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate

carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate (PubChem CID 176517732) has the molecular formula C25H94N8O6 and a molecular weight of 603.08 g/mol. Its IUPAC name is carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate.

Molecular Properties

Compound Namecarbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate
PubChem CID176517732
Molecular FormulaC25H94N8O6
Molecular Weight603.08 g/mol
Exact Mass602.73
IUPAC Namecarbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.N#N.N#N.N#N.NN=O.O.O=C=O.[C-]#[O+].[C-]#[O+].[H][H]
InChIInChI=1S/CO2.2CO.22CH4.H2N2O.3N2.H2O.H2/c2-1-3;2*1-2;;;;;;;;;;;;;;;;;;;;;;;1-2-3;3*1-2;;/h;;;22*1H4;(H2,1,3);;;;1H2;1H
InChIKeyWMTSHADSIGNQGL-UHFFFAOYSA-N
XLogP12.47
TPSA303.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.08
LogP ≤ 512.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate?
The IUPAC name of carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate (CID 176517732) is carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate.
What is the SMILES notation for carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate?
The canonical SMILES for carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.N#N.N#N.N#N.NN=O.O.O=C=O.[C-]#[O+].[C-]#[O+].[H][H].
What is the InChIKey of carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate?
The InChIKey is WMTSHADSIGNQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/CO2.2CO.22CH4.H2N2O.3N2.H2O.H2/c2-1-3;2*1-2;;;;;;;;;;;;;;;;;;;;;;;1-2-3;3*1-2;;/h;;;22*1H4;(H2,1,3);;;;1H2;1H.
What are the key properties of carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate?
carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate has a molecular weight of 603.08 g/mol, XLogP of 12.47, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;carbon monoxide;methane;molecular hydrogen;molecular nitrogen;nitrous amide;hydrate is sourced from PubChem (CID 176517732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).