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ScientificNameLabel
Linalyl oxide acetate
PHCD compound ID : 4782
Chemical Names :
Linalyl oxide acetate
Molecular Formula : C12H20O3
Molecular Weight : 212.141245
More Details :
Names & Synonyms: [1-[2-(3,3-dimethyloxiran-2-yl)ethyl]-1-methyl-allyl] acetate , acetic acid [5-(3,3-dimethyl-2-oxiranyl)-3-methylpent-1-en-3-yl] ester , [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl] acetate , [5-(3,3-dimethyloxiran-2-yl)-3-methyl-pent-1-en-3-yl] ethanoate , acetic acid [1-[2-(3,3-dimethyloxiran-2-yl)ethyl]-1-methyl-allyl] ester
Smiles: C=C[C@@](OC(=O)C)(CC[C@H]1OC1(C)C)C
InChi : InChI=1S/C12H20O3/c1-6-12(5,14-9(2)13)8-7-10-11(3,4)15-10/h6,10H,1,7-8H2,2-5H3/t10-,12-/m1/s1
InChi Key : InChIKey=SVXOLLYBCSDBKK-ZYHUDNBSSA-N
PubChem ID : 162476
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.128611
Hydrogen bond donor count : 0 Electric dipole moment : 1.543
XLogP : 2.299 VDW volume : 224.849578
Molecular weight : 212.141245 HOMO-LUMO gap : 10.962000
Herb list :
Refrences & Litretures:
  
765.      Journal:'Jundishapur J Nat Pharm Prod'      Year:'2014'      Volume:'9'      Page:'1'      DOI:'10.17795/jjnpp-16432'      Title:'Influence of Environment on Glandular Trichomes and Composition of Essential Oil of Perovskia abrotanoides Karel'
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