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Linalol oxide furanoid A
PHCD compound ID : 1429
Chemical Names :
Linalol oxide furanoid A , Linalol oxide furanoid B
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: 2-[(5S)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]propan-2-ol , 2-[(5S)-5-ethenyl-5-methyl-2-oxolanyl]-2-propanol , 2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol , 2-[(5S)-5-ethenyl-5-methyl-oxolan-2-yl]propan-2-ol
Smiles: C=C[C@]1(C)CC[C@H](O1)C(O)(C)C
InChi : InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
InChi Key : InChIKey=BRHDDEIRQPDPMG-WCBMZHEXSA-N
PubChem ID : 6429054
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.716901
Hydrogen bond donor count : 1 Electric dipole moment : 1.790
XLogP : 1.559 VDW volume : 184.103841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.787000
Herb list :
Refrences & Litretures:
  
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
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