Name: (4R,5S,6S)-1,1-diisopropoxy-5-(2,2,2-trichloroethoxycarbonyloxy)-2,2,4,6-tetramethyl-8-nonen-3-one
SMILES:
C=CC[C@H](C)[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@H](C)C(=O)C(C)(C)C(OC(C)C)OC(C)CMolecular Processing
Molecular formula
C22H37Cl3O6
Molecular weight
503.89
Exact mass
502.1656
XLogP
6.5
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
31
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
124.67
Supplementary Information
Details werden geladen…
An 8 Reaktionen beteiligt→