Name: (E)-methyl 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)but-2-enoate
SMILES:
COC(=O)/C=C/CC1(c2ccccc2)CCCCC12OCCO2Molecular Processing
Molecular formula
C19H24O4
Molecular weight
316.4
Exact mass
316.1675
XLogP
3.36
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
87
Supplementary Information
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