Methane(~17~O_2_)dione
CO₂·46.009 g/mol·CID 12415844
IUPAC: methanedi(17O2)one
Also known as: 1173018-47-7, DTXSID50497244, RefChem:352137, DTXCID50448054, SCHEMBL1331038 (+3 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
46.009g/mol
Exact Mass
45.998264Da
Monoisotopic Mass
45.998264Da
XLogP
0.9
Polar Surface Area
34.1Ų
Complexity
18
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
3
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 46.0 g/mol
MW ≤ 500
✓ 0.9
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H280Contains gas under pressure; may explode if heated
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula CO₂
carbon dioxide
CID 280 · 44.0 g/mol
(113C)methanedione
CID 10129882 · 45.0 g/mol
methanedi(18O2)one
CID 12130228 · 48.0 g/mol
CID 6857677
CID 6857677 · 44.0 g/mol
(114C)methanedione
CID 119388 · 46.0 g/mol
(111C)methanedione
CID 10197607 · 43.0 g/mol
(113C)methanedi(18O2)one
CID 24947461 · 49.0 g/mol
methanedi(18O)one
CID 9920366 · 46.0 g/mol