bis(carbon dioxide);hydron;methane;hydrate

C6H19O5+ — CID 159112551

IUPACbis(carbon dioxide);hydron;methane;hydrate
SMILESC.C.C.C.O.O=C=O.O=C=O.[H+]
InChIInChI=1S/2CO2.4CH4.H2O/c2*2-1-3;;;;;/h;;4*1H4;1H2/p+1
InChIKeyMPTWQPRLJOHYJV-UHFFFAOYSA-O
MW171.21 g/mol
LogP0.67
Rot. Bonds

About bis(carbon dioxide);hydron;methane;hydrate

bis(carbon dioxide);hydron;methane;hydrate (PubChem CID 159112551) has the molecular formula C6H19O5+ and a molecular weight of 171.21 g/mol. Its IUPAC name is bis(carbon dioxide);hydron;methane;hydrate.

Molecular Properties

Compound Namebis(carbon dioxide);hydron;methane;hydrate
PubChem CID159112551
Molecular FormulaC6H19O5+
Molecular Weight171.21 g/mol
Exact Mass171.12
IUPAC Namebis(carbon dioxide);hydron;methane;hydrate
SMILESC.C.C.C.O.O=C=O.O=C=O.[H+]
InChIInChI=1S/2CO2.4CH4.H2O/c2*2-1-3;;;;;/h;;4*1H4;1H2/p+1
InChIKeyMPTWQPRLJOHYJV-UHFFFAOYSA-O
XLogP0.67
TPSA99.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);hydron;methane;hydrate?
The IUPAC name of bis(carbon dioxide);hydron;methane;hydrate (CID 159112551) is bis(carbon dioxide);hydron;methane;hydrate.
What is the SMILES notation for bis(carbon dioxide);hydron;methane;hydrate?
The canonical SMILES for bis(carbon dioxide);hydron;methane;hydrate is C.C.C.C.O.O=C=O.O=C=O.[H+].
What is the InChIKey of bis(carbon dioxide);hydron;methane;hydrate?
The InChIKey is MPTWQPRLJOHYJV-UHFFFAOYSA-O. The full InChI is InChI=1S/2CO2.4CH4.H2O/c2*2-1-3;;;;;/h;;4*1H4;1H2/p+1.
What are the key properties of bis(carbon dioxide);hydron;methane;hydrate?
bis(carbon dioxide);hydron;methane;hydrate has a molecular weight of 171.21 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);hydron;methane;hydrate is sourced from PubChem (CID 159112551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).