Chemical ID: 4988543

CC(C)(C1CCC(=O)CC1)C2CCC(=O)CC2
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

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Descriptor Annotations

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