Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-1-dibromomethyl-4,5-dimethylcyclohexanol
SMILES:
CCCCCCC(C)(C)c1ccc(C2CC(O)(C(Br)Br)CC(C)C2C)c(OCc2ccccc2)c1Molecular Processing
Molecular formula
C31H44Br2O2
Molecular weight
608.5
Exact mass
606.1708
XLogP
9.51
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
11
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.613
Molar refractivity
155.9
Supplementary Information
Details werden geladen…
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