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January 28, 2026
C5H10
Datos Químicos de C5H10
ID
86
Molecular Scaffold
eO@Hyj@
Molecular Formula
C5H10
Elemental Composition %
C: 33.3333333333333%
H: 66.6666666666667%
O: 0%
N: 0%
Weight
70.1344
Programa de Cálculo
G16
SMILES
CC1(C)CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PBIJFSCPEFQXBB-UHFFFAOYSA-N