bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate

C8H16O10 — CID 159377395

IUPACbis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate
SMILESC.C.O.O.O=C=C=O.O=C=O.O=C=O.[C-]#[O+].[C-]#[O+].[H][H].[H][H]
InChIInChI=1S/C2O2.2CO2.2CO.2CH4.2H2O.2H2/c3-1-2-4;2*2-1-3;2*1-2;;;;;;/h;;;;;2*1H4;2*1H2;2*1H
InChIKeyVSJCWUVQWQSLFJ-UHFFFAOYSA-N
MW272.21 g/mol
LogP-1.92
Rot. Bonds

About bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate

bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate (PubChem CID 159377395) has the molecular formula C8H16O10 and a molecular weight of 272.21 g/mol. Its IUPAC name is bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate.

Molecular Properties

Compound Namebis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate
PubChem CID159377395
Molecular FormulaC8H16O10
Molecular Weight272.21 g/mol
Exact Mass272.07
IUPAC Namebis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate
SMILESC.C.O.O.O=C=C=O.O=C=O.O=C=O.[C-]#[O+].[C-]#[O+].[H][H].[H][H]
InChIInChI=1S/C2O2.2CO2.2CO.2CH4.2H2O.2H2/c3-1-2-4;2*2-1-3;2*1-2;;;;;;/h;;;;;2*1H4;2*1H2;2*1H
InChIKeyVSJCWUVQWQSLFJ-UHFFFAOYSA-N
XLogP-1.92
TPSA205.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
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'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate?
The IUPAC name of bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate (CID 159377395) is bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate.
What is the SMILES notation for bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate?
The canonical SMILES for bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate is C.C.O.O.O=C=C=O.O=C=O.O=C=O.[C-]#[O+].[C-]#[O+].[H][H].[H][H].
What is the InChIKey of bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate?
The InChIKey is VSJCWUVQWQSLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2O2.2CO2.2CO.2CH4.2H2O.2H2/c3-1-2-4;2*2-1-3;2*1-2;;;;;;/h;;;;;2*1H4;2*1H2;2*1H.
What are the key properties of bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate?
bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate has a molecular weight of 272.21 g/mol, XLogP of -1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);carbon monoxide;ethene-1,2-dione;methane;molecular hydrogen;dihydrate is sourced from PubChem (CID 159377395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).