Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H14O
Datos Químicos de C8H14O
ID
59043
Molecular Scaffold
gKQ@@eKcUH@
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)C1=CCO[C@H]1C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14O/c1-6(2)8-4-5-9-7(8)3/h4,6-7H,5H2,1-3H3/t7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OUYACMZGYJDNAN-ZETCQYMHSA-N