Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H14O
Datos Químicos de C8H14O
ID
112970
Molecular Scaffold
dnDH@@RgfDijjjbD@
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@H](C1)C[C@@H]1[C@@H]1OC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14O/c1-2-6-3-7(4-6)8-5-9-8/h6-8H,2-5H2,1H3/t6?,7?,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CEWMXDUOWIBYJK-RRQHEKLDSA-N