CCC=CCC1C(CC=O)CCC12OCCO2
SMILES: CCC=CCC1C(CC=O)CCC12OCCO2

Molecular Processing

Molecular formula
C14H22O3
Molecular weight
238.33
Exact mass
238.1569
XLogP
2.7
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
65.58

Supplementary Information

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