CCCCCCC1=CC2=C(C=C1C(=O)O)C(CCC2(C)C)(C)C
名称: 3-hexyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
SMILES: CCCCCCC1=CC2=C(C=C1C(=O)O)C(CCC2(C)C)(C)C

Molecular Processing

Molecular formula
C21H32O2
Molecular weight
316.49
Exact mass
316.2402
XLogP
5.86
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
96.53

Supplementary Information

InChIKey: INCNCLKSJFCDMZ-UHFFFAOYSA-N
同義語
SCHEMBL8461561INCNCLKSJFCDMZ-UHFFFAOYSA-N3-hexyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-carboxylic acid
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