B(O)(O)OC1=CC=C(C=C1)CCCCC
Nom: (4-pentylphenoxy)boronic acid
SMILES: B(O)(O)OC1=CC=C(C=C1)CCCCC

Molecular Processing

Molecular formula
C11H17BO3
Molecular weight
208.07
Exact mass
208.1271
XLogP
1.77
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
60.49

Supplementary Information

InChIKey: HXVZXZMUNISBQK-UHFFFAOYSA-N
Synonymes
4-pentylphenylboric acid4-pentyl-phenylboric acidSCHEMBL756017HXVZXZMUNISBQK-UHFFFAOYSA-N
Voir la source →
Impliqué dans 7 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→