Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H16
Datos Químicos de C9H16
ID
91649
Molecular Scaffold
gGp@DjWTvjjPeP@
Molecular Formula
C9H16
Elemental Composition %
C: 36%
H: 64%
O: 0%
N: 0%
Weight
124.226
Programa de Cálculo
G16
SMILES
C[C@@H]1[C@@H](C2)C(C)(C)[C@@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H16/c1-6-4-7-5-8(6)9(7,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SXXYKZVCOFXYBX-GJMOJQLCSA-N