Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H10O
Datos Químicos de C6H10O
ID
2223
Molecular Scaffold
gJq@@eLmcUUI@@
Molecular Formula
C6H10O
Elemental Composition %
C: 35.2941176470588%
H: 58.8235294117647%
O: 5.88235294117647%
N: 0%
Weight
98.1444
Programa de Cálculo
G16
SMILES
C[C@@H]1[C@@]2(C)[C@@H]1OC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10O/c1-4-5-6(4,2)3-7-5/h4-5H,3H2,1-2H3/t4-,5-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IPPBHXUICADJGT-PBXRRBTRSA-N