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January 28, 2026
C8H18
Datos Químicos de C8H18
ID
6104
Molecular Formula
C8H18
Elemental Composition %
C: 30.7692307692308%
H: 69.2307692307692%
O: 0%
N: 0%
Weight
114.231
Programa de Cálculo
G16
SMILES
CC(C)CCC(C)C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UWNADWZGEHDQAB-UHFFFAOYSA-N