Name: ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(3,5-dimethylphenyl)-2-naphthalenyl)ethynyl]-benzoate
SMILES:
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2cc(C)cc(C)c2)=CCC3(C)C)cc1Molecular Processing
Molecular formula
C31H30O2
Molecular weight
434.58
Exact mass
434.2246
XLogP
6.99
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
135.46
Supplementary Information
Details werden geladen…
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