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ScientificNameLabel
(E)-epoxy-ocimene
PHCD compound ID : 5436
Chemical Names :
(E)-epoxy-ocimene
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (2R,3S)-2-methyl-3-(3-methylbut-2-enyl)-2-vinyl-oxirane , (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane , (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane
Smiles: C=C[C@@]1(C)O[C@H]1CC=C(C)C
InChi : InChI=1S/C10H16O/c1-5-10(4)9(11-10)7-6-8(2)3/h5-6,9H,1,7H2,2-4H3/t9-,10+/m0/s1
InChi Key : InChIKey=DUBZPCHJCIFTKB-VHSXEESVSA-N
PubChem ID : 6429141
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.405769
Hydrogen bond donor count : 0 Electric dipole moment : 2.294
XLogP : 2.245 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.297000
Herb list :
Refrences & Litretures:
  
902.      Journal:'Rec. Nat. Prod'      Year:'2010'      Volume:'4'      Page:'167'      DOI:''      Title:'Chemical composition of Echinophora tenuifolia subsp. sibthorpiana essential oil from Greece'
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