COC1(OCC23CCC(O)C=C2CCC2C3CCC3(C)C(OC4(OC)CCCC4)CCC23)CCCC1
SMILES: COC1(OCC23CCC(O)C=C2CCC2C3CCC3(C)C(OC4(OC)CCCC4)CCC23)CCCC1

Molecular Processing

Molecular formula
C31H50O5
Molecular weight
502.74
Exact mass
502.3658
XLogP
6.53
TPSA
57.15
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
6
Aromatic rings
0
Saturated rings
5
Aliphatic rings
6
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.935
Molar refractivity
139.28

Supplementary Information

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