COC(=O)CC(CCC=C(C)CCC=C(C)C)C1CO1
SMILES: COC(=O)CC(CCC=C(C)CCC=C(C)C)C1CO1

Molecular Processing

Molecular formula
C17H28O3
Molecular weight
280.41
Exact mass
280.2038
XLogP
4.04
TPSA
38.83
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
20
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.706
Molar refractivity
81.52

Supplementary Information

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