SMILES:
CC1CCC(C(C)C)C(OC(=O)OC2CC(C)CCC2C(C)C)C1Molecular Processing
Molecular formula
C21H38O3
Molecular weight
338.53
Exact mass
338.2821
XLogP
6.06
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.952
Molar refractivity
97.83
Supplementary Information
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