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6,7-Epoxymyrcene
PHCD compound ID : 2822
Chemical Names :
6,7-Epoxymyrcene
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 2,2-dimethyl-3-(3-methylenepent-4-enyl)oxirane , 2,2-dimethyl-3-(3-methylidenepent-4-enyl)oxirane
Smiles: C=CC(=C)CC[C@H]1OC1(C)C
InChi : InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5,9H,1-2,6-7H2,3-4H3/t9-/m1/s1
InChi Key : InChIKey=DQGZGGZXMOFHLB-SECBINFHSA-N
PubChem ID : 122371
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.518272
Hydrogen bond donor count : 0 Electric dipole moment : 2.013
XLogP : 2.839 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.590000
Herb list :
Refrences & Litretures:
  
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
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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