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Cyclopropaneoctanoic acid, 2-octyl, methyl ester(Cyclopropaneoctanoic acid,2-octyl)
PHCD compound ID : 2576
Chemical Names :
Cyclopropaneoctanoic acid, 2-octyl, methyl ester(Cyclopropaneoctanoic acid,2-octyl)
Molecular Formula : C20H38O2
Molecular Weight : 310.28718
More Details :
Names & Synonyms: methyl 8-(2-octylcyclopropyl)octanoate , 8-(2-octylcyclopropyl)octanoic acid methyl ester , 8-(2-octylcyclopropyl)caprylic acid methyl ester
Smiles: CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)OC
InChi : InChI=1S/C20H38O2/c1-3-4-5-6-8-11-14-18-17-19(18)15-12-9-7-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3/t18-,19+/m1/s1
InChi Key : InChIKey=WKDUVICSOMXTKJ-MOPGFXCFSA-N
PubChem ID : 543406
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.365239
Hydrogen bond donor count : 0 Electric dipole moment : 1.662
XLogP : 9.136 VDW volume : 357.063687
Molecular weight : 310.28718 HOMO-LUMO gap : 11.486000
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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