Name: 6-[2-(2,6,6-trimethylcyclohex-1-enyl)ethynyl]-2-naphthoic acid
SMILES:
CC1=C(C#Cc2ccc3cc(C(=O)O)ccc3c2)C(C)(C)CCC1Molecular Processing
Molecular formula
C22H22O2
Molecular weight
318.42
Exact mass
318.162
XLogP
5.42
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
98.12
Supplementary Information
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Involved in 4 reactions→