Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H10O
Datos Químicos de C6H10O
ID
1301
Molecular Scaffold
gKQ@@dsbuP@
Molecular Formula
C6H10O
Elemental Composition %
C: 35.2941176470588%
H: 58.8235294117647%
O: 5.88235294117647%
N: 0%
Weight
98.1444
Programa de Cálculo
G16
SMILES
CC(C)(CC1)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10O/c1-6(2)4-3-5(6)7/h3-4H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DOPFCVBSOPCWAQ-UHFFFAOYSA-N