sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate

C7H21NaO6 — CID 160786477

IUPACsodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate
SMILESC.CC.CC.O.O=C=O.[Na+].[O-]OCO
InChIInChI=1S/2C2H6.CH4O3.CO2.CH4.Na.H2O/c2*1-2;2-1-4-3;2-1-3;;;/h2*1-2H3;2-3H,1H2;;1H4;;1H2/q;;;;;+1;/p-1
InChIKeyXQIVMHKVPLMIBK-UHFFFAOYSA-M
MW224.23 g/mol
LogP-3.49
Rot. Bonds1

About sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate

sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate (PubChem CID 160786477) has the molecular formula C7H21NaO6 and a molecular weight of 224.23 g/mol. Its IUPAC name is sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate.

Molecular Properties

Compound Namesodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate
PubChem CID160786477
Molecular FormulaC7H21NaO6
Molecular Weight224.23 g/mol
Exact Mass224.12
IUPAC Namesodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate
SMILESC.CC.CC.O.O=C=O.[Na+].[O-]OCO
InChIInChI=1S/2C2H6.CH4O3.CO2.CH4.Na.H2O/c2*1-2;2-1-4-3;2-1-3;;;/h2*1-2H3;2-3H,1H2;;1H4;;1H2/q;;;;;+1;/p-1
InChIKeyXQIVMHKVPLMIBK-UHFFFAOYSA-M
XLogP-3.49
TPSA118.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 5-3.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate?
The IUPAC name of sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate (CID 160786477) is sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate.
What is the SMILES notation for sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate?
The canonical SMILES for sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate is C.CC.CC.O.O=C=O.[Na+].[O-]OCO.
What is the InChIKey of sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate?
The InChIKey is XQIVMHKVPLMIBK-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H6.CH4O3.CO2.CH4.Na.H2O/c2*1-2;2-1-4-3;2-1-3;;;/h2*1-2H3;2-3H,1H2;;1H4;;1H2/q;;;;;+1;/p-1.
What are the key properties of sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate?
sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate has a molecular weight of 224.23 g/mol, XLogP of -3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbon dioxide;ethane;methane;oxidooxymethanol;hydrate is sourced from PubChem (CID 160786477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).