Name: 1-{3-tert-Butyl-4-methoxy-5-[3-(tetrahydropyran-2-yloxy)propoxy]phenyl}ethanone
SMILES:
COc1c(OCCCOC2CCCCO2)cc(C(C)=O)cc1C(C)(C)CMolecular Processing
Molecular formula
C21H32O5
Molecular weight
364.48
Exact mass
364.225
XLogP
4.51
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
101.35
Supplementary Information
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Involved in 9 reactions→