Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H10O2
Datos Químicos de C6H10O2
ID
12080
Molecular Scaffold
gJp@DjYdZjdED@
Molecular Formula
C6H10O2
Elemental Composition %
C: 33.3333333333333%
H: 55.5555555555556%
O: 11.1111111111111%
N: 0%
Weight
114.143
Programa de Cálculo
G16
SMILES
OC[C@@]1([C@H](C2)[C@H]2C1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10O2/c7-3-6(8)2-4-1-5(4)6/h4-5,7-8H,1-3H2/t4-,5-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DDRVTIHUHPJDBY-PBXRRBTRSA-N