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Chemical ID: 4555883
Chemical ID:
4555883
Name [?]:
2-cyclohexylidene-6-[(3-cyclohexylidene-2-oxo-cyclohexyl)methyl]cyclohexan-1-one
SMILES [?]:
C1CCC(=C2CCCC(C2=O)CC3CCCC(=C4CCCCC4)C3=O)CC1
InChi [?]:
InChI=1/C25H36O2/c26-24-20(13-7-15-22(24)18-9-3-1-4-10-18)17-21-14-8-16-23(25(21)27)19-11-5-2-6-12-19/h20-21H,1-17H2
InChi Info:
AuxInfo=1/0/N:1,21,2,27,20,22,7,15,3,26,19,23,8,14,6,16,12,4,18,9,13,5,17,10,24,11,25/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)(26,27)/rA:27cCCCCCCCCCCOCCCCCCCCCCCCCOCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;s5s9;d10;s9;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;s13s17;d24;s4;s1s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H36O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.8315 |
Area: | 551.719 |
Solvation: | -1.96146 |
Coulombic: | -18.9103 |
Bond Count [?]
All: | 30 |
Single: | 26 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 368.552 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.02 |
LogP (Chemaxon): | 6.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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