الاسم: 1-tert-butyl 2-methyl (1S,2S,4S)-4-hydroxycyclohexane-1,2-dicarboxylate
SMILES:
COC(=O)[C@H]1C[C@@H](O)CC[C@@H]1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C13H22O5
Molecular weight
258.31
Exact mass
258.1467
XLogP
1.28
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
64.7
Supplementary Information
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