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Chemical ID: 5180792
Chemical ID:
5180792
Name [?]:
8-bicyclo[2.2.2]octyl-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)C2CC3CCC2CC3
InChi [?]:
InChI=1/C15H18O/c16-15(13-4-2-1-3-5-13)14-10-11-6-8-12(14)9-7-11/h1-5,11-12,14H,6-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,16,13,15,10,11,14,4,9,7,8/E:(2,3)(4,5)(6,7)(8,9)/rA:16cCCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.03604 |
Area: | 379.238 |
Solvation: | -1.44491 |
Coulombic: | -10.8037 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 214.303 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.45 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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