Name: ethyl 7-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoate
SMILES:
CCOC(=O)C(C)(C)CCCCC(c1ccccc1)c1c(C)c(OC)c(C)c(C)c1OCMolecular Processing
Molecular formula
C28H40O4
Molecular weight
440.62
Exact mass
440.2927
XLogP
6.91
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
130.92
Supplementary Information
Details werden geladen…
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