bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate

C6H28O10 — CID 159305063

IUPACbis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate
SMILESCO.CO.O.O.O=C=O.O=C=O.[C-]#[O+].[C-]#[O+].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2CO2.2CH4O.2CO.2H2O.8H2/c2*2-1-3;4*1-2;;;;;;;;;;/h;;2*2H,1H3;;;2*1H2;8*1H
InChIKeyXMIRQFWMDOIXNI-UHFFFAOYSA-N
MW260.28 g/mol
LogP-1.71
Rot. Bonds

About bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate

bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate (PubChem CID 159305063) has the molecular formula C6H28O10 and a molecular weight of 260.28 g/mol. Its IUPAC name is bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate.

Molecular Properties

Compound Namebis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate
PubChem CID159305063
Molecular FormulaC6H28O10
Molecular Weight260.28 g/mol
Exact Mass260.17
IUPAC Namebis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate
SMILESCO.CO.O.O.O=C=O.O=C=O.[C-]#[O+].[C-]#[O+].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2CO2.2CH4O.2CO.2H2O.8H2/c2*2-1-3;4*1-2;;;;;;;;;;/h;;2*2H,1H3;;;2*1H2;8*1H
InChIKeyXMIRQFWMDOIXNI-UHFFFAOYSA-N
XLogP-1.71
TPSA211.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate?
The IUPAC name of bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate (CID 159305063) is bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate.
What is the SMILES notation for bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate?
The canonical SMILES for bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate is CO.CO.O.O.O=C=O.O=C=O.[C-]#[O+].[C-]#[O+].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate?
The InChIKey is XMIRQFWMDOIXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2CO2.2CH4O.2CO.2H2O.8H2/c2*2-1-3;4*1-2;;;;;;;;;;/h;;2*2H,1H3;;;2*1H2;8*1H.
What are the key properties of bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate?
bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate has a molecular weight of 260.28 g/mol, XLogP of -1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);carbon monoxide;methanol;molecular hydrogen;dihydrate is sourced from PubChem (CID 159305063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).