CC(C)(C)OC(=O)C1CC2CCC1C=C2
الاسم: tert-butyl bicyclo[2.2.2]oct-5-ene-2-carboxylate
SMILES: CC(C)(C)OC(=O)C1CC2CCC1C=C2

Molecular Processing

Molecular formula
C13H20O2
Molecular weight
208.3
Exact mass
208.1463
XLogP
2.93
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
59.31

Supplementary Information

InChIKey: PFDKMHNKWZYRPM-UHFFFAOYSA-N
مرادفات
SCHEMBL7641822PFDKMHNKWZYRPM-UHFFFAOYSA-Nt-butyl bicyclo[2,2,2]oct-5-ene-2-carboxylatet-butyl bicyclo[2,2,2]oct -5-ene-2-carboxylate
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