CCCCC(C)(C)[C@H](O)C1OC1[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@H]1O
SMILES: CCCCC(C)(C)[C@H](O)C1OC1[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@H]1O

Molecular Processing

Molecular formula
C23H39ClO5
Molecular weight
431.01
Exact mass
430.2486
XLogP
4.23
TPSA
79.29
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
29
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
7
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.87
Molar refractivity
114.84

Supplementary Information

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