Skip Navigation Links
ScientificNameLabel
Linalol oxide pyranoid A
PHCD compound ID : 1431
Chemical Names :
Linalol oxide pyranoid A
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: (6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol , (6R)-6-ethenyl-2,2,6-trimethyl-3-oxanol , (6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol , (6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol
Smiles: C=C[C@@]1(C)CC[C@H](C(O1)(C)C)O
InChi : InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1
InChi Key : InChIKey=BCTBAGTXFYWYMW-SCZZXKLOSA-N
PubChem ID : 6429055
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.695461
Hydrogen bond donor count : 1 Electric dipole moment : 0.786
XLogP : 1.559 VDW volume : 184.103841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.644000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us