CCOC(=O)C1=CC=C(C=C1)CCCC(C(=O)C)C(=O)OC(C)(C)C
이름: ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxohexyl]benzoate
SMILES: CCOC(=O)C1=CC=C(C=C1)CCCC(C(=O)C)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C20H28O5
Molecular weight
348.44
Exact mass
348.1937
XLogP
3.73
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
95.35

Supplementary Information

InChIKey: BGZTWYGGESFBCG-UHFFFAOYSA-N
동의어
SCHEMBL11545671BGZTWYGGESFBCG-UHFFFAOYSA-Nethyl 4-(4-tert-butoxycarbonyl-5-oxohexyl)benzoate
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