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Chemical ID: 5237231
Chemical ID:
5237231
Name [?]:
cyclohexyl-[2-(cyclohexylmethyl)cyclohexyl]-methanone
SMILES [?]:
C1CCC(CC1)CC2CCCCC2C(=O)C3CCCCC3
InChi [?]:
InChI=1/C20H34O/c21-20(17-11-5-2-6-12-17)19-14-8-7-13-18(19)15-16-9-3-1-4-10-16/h16-19H,1-15H2
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,10,11,3,5,17,21,9,12,7,4,16,8,13,14,15/E:(3,4)(5,6)(9,10)(11,12)/rA:21cCCCCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s11;s8s12;s13;d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H34O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.8611 |
Area: | 490.029 |
Solvation: | -1.38964 |
Coulombic: | -10.7846 |
Bond Count [?]
All: | 23 |
Single: | 22 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 290.483 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.05 |
LogP (Chemaxon): | 6.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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