CCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCCCCC
Name: 3-dodecyloxy-2-decyloxy-1 -triphenylmethoxypropane
SMILES: CCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCCCCC

Molecular Processing

Molecular formula
C44H66O3
Molecular weight
643.01
Exact mass
642.5012
XLogP
12.46
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
29
Heavy atoms
47
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
200.17

Supplementary Information

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