Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H14O
Datos Químicos de C8H14O
ID
59338
Molecular Scaffold
gKQ@@dsbuP@
Molecular Formula
C8H14O
Elemental Composition %
C: 34.7826086956522%
H: 60.8695652173913%
O: 4.34782608695652%
N: 0%
Weight
126.198
Programa de Cálculo
G16
SMILES
CC(C)[C@@H](C[C@H]1C)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14O/c1-5(2)7-4-6(3)8(7)9/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SUETZOAEHFGMJZ-NKWVEPMBSA-N