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January 28, 2026
C6H10
Datos Químicos de C6H10
ID
665
Molecular Scaffold
gJp@DjYdZjdED@
Molecular Formula
C6H10
Elemental Composition %
C: 37.5%
H: 62.5%
O: 0%
N: 0%
Weight
82.1454
Programa de Cálculo
G16
SMILES
C[C@@H]1[C@H]2[C@@H]1CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t5-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PEDLOCJHSNBDBB-WDSKDSINSA-N