O=C(CCCCC1(C(=O)O)CCC1)CCCCC1(C(=O)O)CCC1
SMILES: O=C(CCCCC1(C(=O)O)CCC1)CCCCC1(C(=O)O)CCC1

Molecular Processing

Molecular formula
C19H30O5
Molecular weight
338.44
Exact mass
338.2093
XLogP
4.19
TPSA
91.67
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
24
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.842
Molar refractivity
89.78

Supplementary Information

Details werden geladen…

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