CCOC(OCC)c1ccc(C(=O)CC(C)(C)C)cc1
Name: 1-[4-(diethoxymethyl)-phenyl]-3,3-dimethylbutan-1-one
SMILES: CCOC(OCC)c1ccc(C(=O)CC(C)(C)C)cc1

Molecular Processing

Molecular formula
C17H26O3
Molecular weight
278.39
Exact mass
278.1882
XLogP
4.38
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
80.84

Supplementary Information

Details werden geladen…

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