Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4,5-dimethylcyclohexanone
SMILES:
CCCCCCC(C)(C)c1ccc(C2CC(=O)CC(C)C2C)c(OCc2ccccc2)c1Molecular Processing
Molecular formula
C30H42O2
Molecular weight
434.66
Exact mass
434.3185
XLogP
8.23
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.567
Molar refractivity
134.31
Supplementary Information
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