Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H14
Datos Químicos de C8H14
ID
17374
Molecular Scaffold
gJp@DjYdZjdED@
Molecular Formula
C8H14
Elemental Composition %
C: 36.3636363636364%
H: 63.6363636363636%
O: 0%
N: 0%
Weight
110.199
Programa de Cálculo
G16
SMILES
CC(C)[C@@H]1[C@H](C2)[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14/c1-5(2)7-3-6-4-8(6)7/h5-8H,3-4H2,1-2H3/t6-,7+,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IFOHCGSIDBKYQH-XLPZGREQSA-N