CC#CCCC(C)(O)C=CC1C(O)CC(=O)C1CCCCCCC(=O)O
SMILES: CC#CCCC(C)(O)C=CC1C(O)CC(=O)C1CCCCCCC(=O)O

Molecular Processing

Molecular formula
C21H32O5
Molecular weight
364.48
Exact mass
364.225
XLogP
3.09
TPSA
94.83
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
26
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
100.4

Supplementary Information

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