Name: 5-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-3-methyl-2-cyclohexen-1-one
SMILES:
CCCCCCC(C)(C)c1ccc(C2CC(=O)C=C(C)C2)c(OCc2ccccc2)c1Molecular Processing
Molecular formula
C29H38O2
Molecular weight
418.62
Exact mass
418.2872
XLogP
7.91
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
129.74
Supplementary Information
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