CCCC1=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C(C)=C(C)C1=O
SMILES: CCCC1=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C(C)=C(C)C1=O

Molecular Processing

Molecular formula
C31H54O3
Molecular weight
474.77
Exact mass
474.4073
XLogP
8.54
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
17
Heavy atoms
34
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.806
Molar refractivity
144.9

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→