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January 28, 2026
C8H14
Datos Químicos de C8H14
ID
16390
Molecular Scaffold
gGp@DjWTvjjPeP@
Molecular Formula
C8H14
Elemental Composition %
C: 36.3636363636364%
H: 63.6363636363636%
O: 0%
N: 0%
Weight
110.199
Programa de Cálculo
G16
SMILES
C[C@H]1[C@@H](C)[C@H]2C[C@@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14/c1-5-6(2)8-3-7(5)4-8/h5-8H,3-4H2,1-2H3/t5-,6+,7?,8?
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GPEUIMYEGIONOX-XEDAXZNXSA-N