Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H14
Datos Químicos de C8H14
ID
14173
Molecular Scaffold
gGp@DjVXvjjPTP@
Molecular Formula
C8H14
Elemental Composition %
C: 36.3636363636364%
H: 63.6363636363636%
O: 0%
N: 0%
Weight
110.199
Programa de Cálculo
G16
SMILES
CC1(C)[C@@H]2[C@H]1CCC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14/c1-8(2)6-4-3-5-7(6)8/h6-7H,3-5H2,1-2H3/t6-,7+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CCKTWLLSSOUISC-KNVOCYPGSA-N