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ScientificNameLabel
Linalool propanoate
PHCD compound ID : 1986
Chemical Names :
Linalool propanoate
Molecular Formula : C14H24O2
Molecular Weight : 224.17763
More Details :
Names & Synonyms: (1,5-dimethyl-1-vinyl-hex-5-enyl) butanoate , butanoic acid 3,7-dimethylocta-1,7-dien-3-yl ester , 3,7-dimethylocta-1,7-dien-3-yl butanoate , butyric acid (1,5-dimethyl-1-vinyl-hex-5-enyl) ester
Smiles: CCCC(=O)O[C@](CCCC(=C)C)(C=C)C
InChi : InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7H,2-3,6,8-11H2,1,4-5H3/t14-/m0/s1
InChi Key : InChIKey=QBSAYICQMXQGNX-AWEZNQCLSA-N
PubChem ID : 6431132
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.537271
Hydrogen bond donor count : 0 Electric dipole moment : 2.731
XLogP : 4.075 VDW volume : 260.371321
Molecular weight : 224.17763 HOMO-LUMO gap : 10.529000
Herb list :
Refrences & Litretures:
  
236.      Journal:'Parasitol Res'      Year:'2012'      Volume:'111'      Page:'2403'      DOI:'10.1007/s00436-012-3097-1'      Title:'Bioactivity of Dianthus caryophyllus, Lepidium sativum, Pimpinella anisum, and Illicium verum essential oils and their major components against the West Nile vector Culex pipiens'
866.      Journal:'Journal of Pharmacognosy and Phytochemistry'      Year:'2016'      Volume:'5'      Page:'99'      DOI:''      Title:'Steam distillation extraction and chemical composition of essential oils of Toddalia asiatica L. and Eucalyptus camaldulensis Dehnh'
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