Nom: 6-[2-(5-ethoxycarbonyl-5-methyl-hexyl)-[1,3]dithian-2-yl]-2,2-dimethyl-hexanoic acid ethyl ester
SMILES:
CCOC(=O)C(C)(C)CCCCC1(CCCCC(C)(C)C(=O)OCC)SCCCS1Molecular Processing
Molecular formula
C24H44O4S2
Molecular weight
460.75
Exact mass
460.2681
XLogP
6.85
TPSA
52.6
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
30
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
130.03
Supplementary Information
Récupération des détails…
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