CC(=O)OCCC(C)C(O)CC=C(C)C
SMILES: CC(=O)OCCC(C)C(O)CC=C(C)C

Molecular Processing

Molecular formula
C12H22O3
Molecular weight
214.3
Exact mass
214.1569
XLogP
2.29
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
60.47

Supplementary Information

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