名称: [1-(2-ethylbutyl)cyclohexanecarbonyl] 1-(2-ethylbutyl)cyclohexane-1-carboxylate
SMILES:
CCC(CC)CC1(CCCCC1)C(=O)OC(=O)C2(CCCCC2)CC(CC)CCMolecular Processing
Molecular formula
C26H46O3
Molecular weight
406.65
Exact mass
406.3447
XLogP
7.61
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
29
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
119.51
Supplementary Information
InChIKey: DSALSJWXNYUXDF-UHFFFAOYSA-N
同義語
SCHEMBL2203045DSALSJWXNYUXDF-UHFFFAOYSA-N1-(2-ethyl-butyl)-cyclohexanecarboxylic acid anhydride
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