Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H16O
Datos Químicos de C8H16O
ID
101237
Molecular Scaffold
gBP@DiVj`@
Molecular Formula
C8H16O
Elemental Composition %
C: 32%
H: 64%
O: 4%
N: 0%
Weight
128.214
Programa de Cálculo
G16
SMILES
C[C@@H]([C@H]1C[C@@H](C)C1)OC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H16O/c1-6-4-8(5-6)7(2)9-3/h6-8H,4-5H2,1-3H3/t6?,7-,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UAEBUXNTPVTNML-WTIBDHCWSA-N