Name: 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester
SMILES:
COC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=OMolecular Processing
Molecular formula
C18H22O6
Molecular weight
334.37
Exact mass
334.1416
XLogP
2.82
TPSA
82.06
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
87.23
Supplementary Information
Details werden geladen…
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