CCOC(=O)C1=CC=C(C=C1)CCCC(CCCC(CCCC(C)(C)C)OC(=O)C)C(=O)C
이름: ethyl 4-(4-acetyl-8-acetyloxy-12,12-dimethyltridecyl)benzoate
SMILES: CCOC(=O)C1=CC=C(C=C1)CCCC(CCCC(CCCC(C)(C)C)OC(=O)C)C(=O)C

Molecular Processing

Molecular formula
C28H44O5
Molecular weight
460.66
Exact mass
460.3189
XLogP
6.71
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
15
Heavy atoms
33
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.679
Molar refractivity
132.22

Supplementary Information

InChIKey: BAWANLBFVGGBJS-UHFFFAOYSA-N
동의어
SCHEMBL11547952BAWANLBFVGGBJS-UHFFFAOYSA-Nethyl 4-(4-acetyl-8-acetoxy-12,12-dimethyltridecyl)benzoate
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