CCCCCCC(C)(C)c1cccc(OCc2ccccc2)c1
Name: 1-benzyloxy-3-(1,1-dimethylheptyl)benzene
SMILES: CCCCCCC(C)(C)c1cccc(OCc2ccccc2)c1

Molecular Processing

Molecular formula
C22H30O
Molecular weight
310.48
Exact mass
310.2297
XLogP
6.51
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
9
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
99

Supplementary Information

Details werden geladen…

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