bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen

C16H58O8 — CID 158389486

IUPACbis(carbon dioxide);deuterium monohydride;methane;molecular oxygen
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.O=C=O.O=C=O.O=O.O=O.[H][2H]
InChIInChI=1S/2CO2.14CH4.2O2.H2/c2*2-1-3;;;;;;;;;;;;;;;2*1-2;/h;;14*1H4;;;1H/i;;;;;;;;;;;;;;;;;;1+1
InChIKeyGWTUEASVALWIIB-OYQRUQRVSA-N
MW379.64 g/mol
LogP8.12
Rot. Bonds

About bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen

bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen (PubChem CID 158389486) has the molecular formula C16H58O8 and a molecular weight of 379.64 g/mol. Its IUPAC name is bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen.

Molecular Properties

Compound Namebis(carbon dioxide);deuterium monohydride;methane;molecular oxygen
PubChem CID158389486
Molecular FormulaC16H58O8
Molecular Weight379.64 g/mol
Exact Mass379.42
IUPAC Namebis(carbon dioxide);deuterium monohydride;methane;molecular oxygen
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.O=C=O.O=C=O.O=O.O=O.[H][2H]
InChIInChI=1S/2CO2.14CH4.2O2.H2/c2*2-1-3;;;;;;;;;;;;;;;2*1-2;/h;;14*1H4;;;1H/i;;;;;;;;;;;;;;;;;;1+1
InChIKeyGWTUEASVALWIIB-OYQRUQRVSA-N
XLogP8.12
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.64
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen?
The IUPAC name of bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen (CID 158389486) is bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen.
What is the SMILES notation for bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen?
The canonical SMILES for bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen is C.C.C.C.C.C.C.C.C.C.C.C.C.C.O=C=O.O=C=O.O=O.O=O.[H][2H].
What is the InChIKey of bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen?
The InChIKey is GWTUEASVALWIIB-OYQRUQRVSA-N. The full InChI is InChI=1S/2CO2.14CH4.2O2.H2/c2*2-1-3;;;;;;;;;;;;;;;2*1-2;/h;;14*1H4;;;1H/i;;;;;;;;;;;;;;;;;;1+1.
What are the key properties of bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen?
bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen has a molecular weight of 379.64 g/mol, XLogP of 8.12, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);deuterium monohydride;methane;molecular oxygen is sourced from PubChem (CID 158389486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).