Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H18O
Datos Químicos de C8H18O
ID
59980
Molecular Formula
C8H18O
Elemental Composition %
C: 29.6296296296296%
H: 66.6666666666667%
O: 3.7037037037037%
N: 0%
Weight
130.23
Programa de Cálculo
G16
SMILES
CC(C)C[C@H](C(C)C)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H18O/c1-6(2)5-8(9)7(3)4/h6-9H,5H2,1-4H3/t8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SNKTZHPOKPYBPT-MRVPVSSYSA-N