Chemical ID: 5180792

c1ccc(cc1)C(=O)C2CC3CCC2CC3
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

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Descriptor Annotations

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