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Cyclopropaneoctanoic acid, 2-hexyl, methyl ester(Cyclopropaneoctanoic acid, 2-hexyl)
PHCD compound ID : 2570
Chemical Names :
Cyclopropaneoctanoic acid, 2-hexyl, methyl ester(Cyclopropaneoctanoic acid, 2-hexyl)
Molecular Formula : C18H34O2
Molecular Weight : 282.25588
More Details :
Names & Synonyms: methyl 8-(2-hexylcyclopropyl)octanoate , 8-(2-hexylcyclopropyl)octanoic acid methyl ester , 8-(2-hexylcyclopropyl)caprylic acid methyl ester
Smiles: CCCCCC[C@@H]1C[C@H]1CCCCCCCC(=O)OC
InChi : InChI=1S/C18H34O2/c1-3-4-5-9-12-16-15-17(16)13-10-7-6-8-11-14-18(19)20-2/h16-17H,3-15H2,1-2H3/t16-,17-/m1/s1
InChi Key : InChIKey=LQYIDOFTTFCXEO-IAGOWNOFSA-N
PubChem ID : 543331
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.428053
Hydrogen bond donor count : 0 Electric dipole moment : 1.542
XLogP : 7.998 VDW volume : 322.471718
Molecular weight : 282.25588 HOMO-LUMO gap : 11.549000
Herb list :
Refrences & Litretures:
  
299.      Journal:'J. Med. Plants Res'      Year:'2011'      Volume:'5'      Page:'6972'      DOI:''      Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'
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