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ScientificNameLabel
Amyl isobutyrate
PHCD compound ID : 2836
Chemical Names :
Amyl isobutyrate
Molecular Formula : C9H18O2
Molecular Weight : 158.13068
More Details :
Names & Synonyms: pentyl 2-methylpropanoate , 2-methylpropanoic acid pentyl ester , 2-methylpropionic acid amyl ester
Smiles: CCCCCOC(=O)C(C)C
InChi : InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3
InChi Key : InChIKey=UYGGIIOLYXRSQY-UHFFFAOYSA-N
PubChem ID : 75554
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.545220
Hydrogen bond donor count : 0 Electric dipole moment : 1.867
XLogP : 2.706 VDW volume : 179.164315
Molecular weight : 158.13068 HOMO-LUMO gap : 11.765000
Herb list :
Refrences & Litretures:
  
342.      Journal:'Sci. Pharm'      Year:'2006'      Volume:'74'      Page:'189'      DOI:'10.3797/scipharm.2006.74.189'      Title:'Antimicrobial testings, gas chromatographic analysis and olfactory evaluation of an essential oil of hop cones (Humulus lupulus L.) from Bavaria and some of its main compounds'
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