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Chemical ID: 4988543
Chemical ID:
4988543
Name [?]:
4-[1-methyl-1-(4-oxocyclohexyl)-ethyl]cyclohexan-1-one
SMILES [?]:
CC(C)(C1CCC(=O)CC1)C2CCC(=O)CC2
InChi [?]:
InChI=1/C15H24O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-12H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,10,12,17,6,9,13,16,4,11,7,14,2,8,15/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(16,17)/rA:17nCCCCCCCOCCCCCCOCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s4s9;s2;s11;s12;s13;d14;s14;s11s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.25745 |
Area: | 415.288 |
Solvation: | -3.12474 |
Coulombic: | -14.219 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 236.35 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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