Nom: (E)-3-(3′-adamantan-1-yl-4′-hydroxybiphenyl-4-yl)acrylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1Molecular Processing
Molecular formula
C29H34O3
Molecular weight
430.59
Exact mass
430.2508
XLogP
6.88
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
32
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
128.27
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→