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(E)-Anhydrolinalol oxide
PHCD compound ID : 3270
Chemical Names :
(E)-Anhydrolinalol oxide
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (2S,5S)-5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran , (2S,5S)-2-ethenyl-2-methyl-5-(1-methylethenyl)oxolane , (2S,5S)-2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane , (2S,5S)-2-ethenyl-2-methyl-5-prop-1-en-2-yl-oxolane
Smiles: C=C[C@]1(C)CC[C@H](O1)C(=C)C
InChi : InChI=1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10+/m0/s1
InChi Key : InChIKey=XIGFNCYVSHOLIF-VHSXEESVSA-N
PubChem ID : 6429213
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.551918
Hydrogen bond donor count : 0 Electric dipole moment : 1.617
XLogP : 1.923 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.669000
Herb list :
Refrences & Litretures:
  
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
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