Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H14O2
Datos Químicos de C7H14O2
ID
57486
Molecular Scaffold
gKP`AdiZj@@
Molecular Formula
C7H14O2
Elemental Composition %
C: 30.4347826086957%
H: 60.8695652173913%
O: 8.69565217391304%
N: 0%
Weight
130.186
Programa de Cálculo
G16
SMILES
CC(C)(C)[C@@H]1OCOC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H14O2/c1-7(2,3)6-4-8-5-9-6/h6H,4-5H2,1-3H3/t6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JJGOKUPCBBTPNT-ZCFIWIBFSA-N