Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H12O2
Datos Químicos de C6H12O2
ID
13283
Molecular Scaffold
gBQ@@eJuT@@
Molecular Formula
C6H12O2
Elemental Composition %
C: 30%
H: 60%
O: 10%
N: 0%
Weight
116.159
Programa de Cálculo
G16
SMILES
CCOC[C@@H]1OCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12O2/c1-2-7-5-6-3-4-8-6/h6H,2-5H2,1H3/t6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PTBIUOCTFLBIBX-ZCFIWIBFSA-N