Name: (5R,6S)-1,1-diisopropoxy-5-hydroxy-2,2,6-trimethyl-8-nonen-3-one
SMILES:
C=CC[C@H](C)[C@H](O)CC(=O)C(C)(C)C(OC(C)C)OC(C)CMolecular Processing
Molecular formula
C18H34O4
Molecular weight
314.47
Exact mass
314.2457
XLogP
3.72
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
22
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
89.62
Supplementary Information
Details werden geladen…
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