Nom: ethyl 2-methyl-7-phenyl-(2E)-heptene-6-ynoate
SMILES:
CCOC(=O)/C(C)=C/CCC#Cc1ccccc1Molecular Processing
Molecular formula
C16H18O2
Molecular weight
242.32
Exact mass
242.1307
XLogP
3.33
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
72.94
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→