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ScientificNameLabel
Santolinyl acetate
PHCD compound ID : 2778
Chemical Names :
Santolinyl acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [(2S)-1,1,4-trimethyl-2-vinyl-pent-3-enyl] acetate , acetic acid [(3S)-3-ethenyl-2,5-dimethylhex-4-en-2-yl] ester , [(3S)-3-ethenyl-2,5-dimethylhex-4-en-2-yl] acetate , [(3S)-3-ethenyl-2,5-dimethyl-hex-4-en-2-yl] ethanoate , acetic acid [(2S)-1,1,4-trimethyl-2-vinyl-pent-3-enyl] ester
Smiles: C=C[C@H](C(OC(=O)C)(C)C)C=C(C)C
InChi : InChI=1S/C12H20O2/c1-7-11(8-9(2)3)12(5,6)14-10(4)13/h7-8,11H,1H2,2-6H3/t11-/m0/s1
InChi Key : InChIKey=NHUKUXHBUOLLAY-NSHDSACASA-N
PubChem ID : 101413931
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.323368
Hydrogen bond donor count : 0 Electric dipole moment : 2.359
XLogP : 3.294 VDW volume : 225.779352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.314000
Herb list :
Refrences & Litretures:
  
327.      Journal:'Journal of Essential Oil Research'      Year:'2015'      Volume:'27'      Page:'140'      DOI:'10.1080/10412905.2014.1001526'      Title:'Chemical composition, antioxidant and antimicrobial activity of Artemisia sieberi oils from different parts of Iran and France'
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