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ScientificNameLabel
Terpinylisobutyrate
PHCD compound ID : 4503
Chemical Names :
Terpinylisobutyrate
Molecular Formula : C14H24O2
Molecular Weight : 224.17763
More Details :
Names & Synonyms: [1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] 2-methylpropanoate , 2-methylpropanoic acid 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl ester , 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate , 2-methylpropionic acid [1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] ester
Smiles: O=C(C(C)C)OC([C@@H]1CCC(=CC1)C)(C)C
InChi : InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3/t12-/m0/s1
InChi Key : InChIKey=SMQUXKIIXFOJKI-LBPRGKRZSA-N
PubChem ID : 522673
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.137086
Hydrogen bond donor count : 0 Electric dipole moment : 1.865
XLogP : 3.655 VDW volume : 250.651321
Molecular weight : 224.17763 HOMO-LUMO gap : 10.523000
Herb list :
Refrences & Litretures:
  
665.      Journal:'Plant Biosystem'      Year:'2016'      Volume:''      Page:''      DOI:'10.1080/11263504.2016.1187681'      Title:'Chemical composition and bioactivity of Boswellia serrata Roxb. essential oil in relation to geographical variation'
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