Name: (E)-3-ethyl-1-(4-{1-ethyl-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl}-2-methyl-phenyl)-1-penten-3-ol
SMILES:
CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1C)CCMolecular Processing
Molecular formula
C31H45BO3
Molecular weight
476.51
Exact mass
476.3462
XLogP
6.96
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.548
Molar refractivity
149.26
Supplementary Information
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