Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8
Datos Químicos de C5H8
ID
156
Molecular Scaffold
gKP@DiVj@@
Molecular Formula
C5H8
Elemental Composition %
C: 38.4615384615385%
H: 61.5384615384615%
O: 0%
N: 0%
Weight
68.1185
Programa de Cálculo
G16
SMILES
C1CC=CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LPIQUOYDBNQMRZ-UHFFFAOYSA-N