Name: 3-(octadecyloxy)-5-[(5-methoxy-5-oxopentyl)oxy]benzoic acid phenylmethyl ester
SMILES:
CCCCCCCCCCCCCCCCCCOc1cc(OCCCCC(=O)OC)cc(C(=O)OCc2ccccc2)c1Molecular Processing
Molecular formula
C38H58O6
Molecular weight
610.88
Exact mass
610.4233
XLogP
10.41
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
27
Heavy atoms
44
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
178.41
Supplementary Information
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