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Chemical ID: 3966174
Chemical ID:
3966174
Name [?]:
4-[2-(3,5-dimethyl-2-oxo-cyclohexyl)-2-hydroxy-ethyl]piperidine-2,6-dione
SMILES [?]:
CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C
InChi [?]:
InChI=1/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,3,8,10,12,18,2,4,11,7,9,13,16,5,15,19,14,17,6/E:(6,7)(13,14)(18,19)/rA:20cCCCCCOCCCCCCCONCOCOC/rB:s1;s2;s3;s4;d5;s5;s2s7;s7;s9;s10;s11;s12;d13;s13;s15;d16;s11s16;s9;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.31591 |
Area: | 468.161 |
Solvation: | -4.38812 |
Coulombic: | -51.3001 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.33 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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