C1CCCCC1.CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O
名称: cyclohexane SPAN80
SMILES: C1CCCCC1.CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O

Molecular Processing

Molecular formula
C30H56O6
Molecular weight
512.77
Exact mass
512.4077
XLogP
6.39
TPSA
96.22
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
18
Heavy atoms
36
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.9
Molar refractivity
145.87

Supplementary Information

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