Name: 2-(4'-octyloxybiphenyloxymethyl)-5,5-dimethyl-δ-valerolactone
SMILES:
CCCCCCCCOc1ccc(-c2ccccc2OCC2CCC(C)(C)OC2=O)cc1Molecular Processing
Molecular formula
C28H38O4
Molecular weight
438.61
Exact mass
438.277
XLogP
7.2
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
129.14
Supplementary Information
Details werden geladen…