Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H14O
Datos Químicos de C8H14O
ID
110296
Molecular Scaffold
gJp@DjYdZjdED@
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]([C@@H]1[C@H]2[C@@H]1C)[C@@H]2O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14O/c1-3-5-6-4(2)7(6)8(5)9/h4-9H,3H2,1-2H3/t4-,5-,6+,7-,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CLQOPXSKBDNLLF-RLMOJYMMSA-N