Name: tert-butyl(±)-(1S,5R)-[3,4-dimethylbicyclo[3.2.0]hept-3-en-6-ylidene]acetate
SMILES:
CC1=C(C)[C@H]2C(=CC(=O)OC(C)(C)C)C[C@H]2C1Molecular Processing
Molecular formula
C15H22O2
Molecular weight
234.34
Exact mass
234.162
XLogP
3.63
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
68.52
Supplementary Information
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