Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H14O
Datos Químicos de C8H14O
ID
90455
Molecular Scaffold
gGq@@eLxzuURbt@
Molecular Formula
C8H14O
Elemental Composition %
C: 34.7826086956522%
H: 60.8695652173913%
O: 4.34782608695652%
N: 0%
Weight
126.198
Programa de Cálculo
G16
SMILES
C[C@@H]1O[C@H]2C(C)(C)[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14O/c1-5-4-6-7(9-5)8(6,2)3/h5-7H,4H2,1-3H3/t5-,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WMQKGMJWIXJDHJ-LYFYHCNISA-N