Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H16O
Datos Químicos de C8H16O
ID
59359
Molecular Scaffold
gBP@DiVj`@
Molecular Formula
C8H16O
Elemental Composition %
C: 32%
H: 64%
O: 4%
N: 0%
Weight
128.214
Programa de Cálculo
G16
SMILES
C[C@H]([C@@H]1[C@H](C)[C@H](C)C1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H16O/c1-5-4-8(6(5)2)7(3)9/h5-9H,4H2,1-3H3/t5-,6+,7+,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RNVFCCZJJDBNEE-OSMVPFSASA-N