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January 28, 2026
C5H8
Datos Químicos de C5H8
ID
105
Molecular Scaffold
gJp@DjTZj`@
Molecular Formula
C5H8
Elemental Composition %
C: 38.4615384615385%
H: 61.5384615384615%
O: 0%
N: 0%
Weight
68.1185
Programa de Cálculo
G16
SMILES
C1C2CC1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8/c1-4-2-5(1)3-4/h4-5H,1-3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MKCBRYIXFFGIKN-UHFFFAOYSA-N