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ScientificNameLabel
Amyl 2-methylbutyrate
PHCD compound ID : 2837
Chemical Names :
Amyl 2-methylbutyrate
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: pentyl 2-methylbutanoate , 2-methylbutanoic acid pentyl ester , 2-methylbutyric acid amyl ester
Smiles: CCCCCOC(=O)[C@H](CC)C
InChi : InChI=1S/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3/t9-/m0/s1
InChi Key : InChIKey=RHNBXPIJLXBHMF-VIFPVBQESA-N
PubChem ID : 107059
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.516233
Hydrogen bond donor count : 0 Electric dipole moment : 1.938
XLogP : 3.275 VDW volume : 196.4603
Molecular weight : 172.14633 HOMO-LUMO gap : 11.768000
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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