Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H10O2
Datos Químicos de C5H10O2
ID
1727
Molecular Scaffold
gBP@DiVj`@
Molecular Formula
C5H10O2
Elemental Composition %
C: 29.4117647058824%
H: 58.8235294117647%
O: 11.7647058823529%
N: 0%
Weight
102.132
Programa de Cálculo
G16
SMILES
OCC1(CCC1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10O2/c6-4-5(7)2-1-3-5/h6-7H,1-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KTVGYAJQQQUOQX-UHFFFAOYSA-N