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Chemical ID: 6886552
Chemical ID:
6886552
Name [?]:
1-(4-cyclohexoxyphenyl)ethanone
SMILES [?]:
CC(=O)c1ccc(cc1)OC2CCCCC2
InChi [?]:
InChI=1/C14H18O2/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,5,9,6,8,2,4,11,7,3,10/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCCOCCCCCCOCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18O2 |
All Atoms: | 34 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.49629 |
Area: | 408.278 |
Solvation: | -2.71067 |
Coulombic: | -16.4722 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.61 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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