methane;(111C)methanedione

C2H4O2 — CID 159104275

IUPACmethane;(111C)methanedione
SMILESC.O=[11C]=O
InChIInChI=1S/CO2.CH4/c2-1-3;/h;1H4/i1-1;
InChIKeyKDRIEERWEFJUSB-ULWFUOSBSA-N
MW59.05 g/mol
LogP0.05
Rot. Bonds

About methane;(111C)methanedione

methane;(111C)methanedione (PubChem CID 159104275) has the molecular formula C2H4O2 and a molecular weight of 59.05 g/mol. Its IUPAC name is methane;(111C)methanedione.

Molecular Properties

Compound Namemethane;(111C)methanedione
PubChem CID159104275
Molecular FormulaC2H4O2
Molecular Weight59.05 g/mol
Exact Mass59.03
IUPAC Namemethane;(111C)methanedione
SMILESC.O=[11C]=O
InChIInChI=1S/CO2.CH4/c2-1-3;/h;1H4/i1-1;
InChIKeyKDRIEERWEFJUSB-ULWFUOSBSA-N
XLogP0.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.05
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;(111C)methanedione?
The IUPAC name of methane;(111C)methanedione (CID 159104275) is methane;(111C)methanedione.
What is the SMILES notation for methane;(111C)methanedione?
The canonical SMILES for methane;(111C)methanedione is C.O=[11C]=O.
What is the InChIKey of methane;(111C)methanedione?
The InChIKey is KDRIEERWEFJUSB-ULWFUOSBSA-N. The full InChI is InChI=1S/CO2.CH4/c2-1-3;/h;1H4/i1-1;.
What are the key properties of methane;(111C)methanedione?
methane;(111C)methanedione has a molecular weight of 59.05 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(111C)methanedione is sourced from PubChem (CID 159104275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).