Name: ethyl 2-(2,4-di-tert-butylphenoxy)caproate
SMILES:
CCCCC(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)C(=O)OCCMolecular Processing
Molecular formula
C22H36O3
Molecular weight
348.53
Exact mass
348.2664
XLogP
5.78
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
104.42
Supplementary Information
Details werden geladen…
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