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(3Z)–Hexenyltiglate
PHCD compound ID : 5201
Chemical Names :
(3Z)–Hexenyltiglate
Molecular Formula : C11H18O2
Molecular Weight : 182.13068
More Details :
Names & Synonyms: [(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate , (E)-2-methyl-2-butenoic acid [(Z)-hex-3-enyl] ester , [(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate , (E)-2-methylbut-2-enoic acid [(Z)-hex-3-enyl] ester
Smiles: CC/C=C\CCOC(=O)/C(=C/C)/C
InChi : InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+
InChi Key : InChIKey=JNWQKXUWZWKUAY-JQEGGOPCSA-N
PubChem ID : 15461361
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.695107
Hydrogen bond donor count : 0 Electric dipole moment : 2.376
XLogP : 3.21 VDW volume : 208.483367
Molecular weight : 182.13068 HOMO-LUMO gap : 9.844000
Herb list :
Refrences & Litretures:
  
823.      Journal:'Asian J Pharm Clin Res'      Year:'2019'      Volume:'12'      Page:'124'      DOI:'10.22159/ajpcr.2019.v12i1.28418'      Title:'BIOACTIVITIES AND CHEMOPROFILING COMPARISONS OF CHENOPODIUM AMBROSIOIDES L. AND CHENOPODIUM BOTRYS L. GROWING IN KASHMIR, INDIA'
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