SCHEMBL4753041
C₂H₂·27.030 g/mol·CID 12198471
IUPAC: (113C)ethyne
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
27.030g/mol
Exact Mass
27.019005Da
Monoisotopic Mass
27.019005Da
XLogP
0.4
Polar Surface Area
0.0Ų
Complexity
8
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
0
Rotatable Bonds
0
Heavy Atoms
2
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 27.0 g/mol
MW ≤ 500
✓ 0.4
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 0
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula C₂H₂
acetylene
CID 6326 · 26.0 g/mol
1,2-dideuterioethyne
CID 136829 · 28.1 g/mol
deuterioethyne
CID 137497 · 27.0 g/mol
(1,2-13C2)ethyne
CID 10877042 · 28.0 g/mol
CID 6432236
CID 6432236 · 26.0 g/mol
1,2-ditritioethyne
CID 12198473 · 30.1 g/mol
(111C)ethyne
CID 450700 · 25.0 g/mol
(114C)ethyne
CID 12198470 · 28.0 g/mol