CCCCCC(CCCC(Br)(CCCCCCC(=O)OCC)C(C)=O)OC(C)=O
Name: Ethyl 8-acetyl-8-bromo-12-acetoxyheptadecanoate
SMILES: CCCCCC(CCCC(Br)(CCCCCCC(=O)OCC)C(C)=O)OC(C)=O

Molecular Processing

Molecular formula
C23H41BrO5
Molecular weight
477.48
Exact mass
476.2137
XLogP
6.3
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
18
Heavy atoms
29
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.87
Molar refractivity
120.22

Supplementary Information

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