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January 28, 2026
C8H14
Datos Químicos de C8H14
ID
20080
Molecular Scaffold
gGp@DjYXvjj@@
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]([C@@H]1C)[C@H]1C1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14/c1-5-6(2)8(5)7-3-4-7/h5-8H,3-4H2,1-2H3/t5-,6+,8+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RNJVAQNKXSFSOS-BDINMYNLSA-N