(113C)methanedi(18O2)one

CO2 — CID 24947461

IUPAC(113C)methanedi(18O2)one
SMILES[18O]=[13C]=[18O]
InChIInChI=1S/CO2/c2-1-3/i1+1,2+2,3+2
InChIKeyCURLTUGMZLYLDI-UKEFCNGDSA-N
MW49.00 g/mol
LogP-0.58
Rot. Bonds

About (113C)methanedi(18O2)one

(113C)methanedi(18O2)one (PubChem CID 24947461) has the molecular formula CO2 and a molecular weight of 49.00 g/mol. Its IUPAC name is (113C)methanedi(18O2)one.

Molecular Properties

Compound Name(113C)methanedi(18O2)one
PubChem CID24947461
Molecular FormulaCO2
Molecular Weight49.00 g/mol
Exact Mass49.00
IUPAC Name(113C)methanedi(18O2)one
SMILES[18O]=[13C]=[18O]
InChIInChI=1S/CO2/c2-1-3/i1+1,2+2,3+2
InChIKeyCURLTUGMZLYLDI-UKEFCNGDSA-N
XLogP-0.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50049.00
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (113C)methanedi(18O2)one?
The IUPAC name of (113C)methanedi(18O2)one (CID 24947461) is (113C)methanedi(18O2)one.
What is the SMILES notation for (113C)methanedi(18O2)one?
The canonical SMILES for (113C)methanedi(18O2)one is [18O]=[13C]=[18O].
What is the InChIKey of (113C)methanedi(18O2)one?
The InChIKey is CURLTUGMZLYLDI-UKEFCNGDSA-N. The full InChI is InChI=1S/CO2/c2-1-3/i1+1,2+2,3+2.
What are the key properties of (113C)methanedi(18O2)one?
(113C)methanedi(18O2)one has a molecular weight of 49.00 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (113C)methanedi(18O2)one is sourced from PubChem (CID 24947461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).