Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H14O
Datos Químicos de C7H14O
ID
7642
Molecular Scaffold
gBP@DiVj`@
Molecular Formula
C7H14O
Elemental Composition %
C: 31.8181818181818%
H: 63.6363636363636%
O: 4.54545454545455%
N: 0%
Weight
114.187
Programa de Cálculo
G16
SMILES
C[C@H]([C@H]1C[C@@H](C)C1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H14O/c1-5-3-7(4-5)6(2)8/h5-8H,3-4H2,1-2H3/t5?,6-,7?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KIUPCASMVWBTHL-YURFNIAASA-N