CCOC(=O)CCCCCC1=C(OC(C)=O)CCCC1
SMILES: CCOC(=O)CCCCCC1=C(OC(C)=O)CCCC1

Molecular Processing

Molecular formula
C16H26O4
Molecular weight
282.38
Exact mass
282.1831
XLogP
3.89
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
20
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
76.98

Supplementary Information

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