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ScientificNameLabel
7-Methyl-(Z)-8-tetradecen-1-ol acetate
PHCD compound ID : 4522
Chemical Names :
7-Methyl-(Z)-8-tetradecen-1-ol acetate
Molecular Formula : C17H32O2
Molecular Weight : 268.24023
More Details :
Names & Synonyms: [(Z)-7-methyltetradec-8-enyl] acetate , acetic acid [(Z)-7-methyltetradec-8-enyl] ester , [(Z)-7-methyltetradec-8-enyl] ethanoate
Smiles: CCCCC/C=C\[C@@H](CCCCCCOC(=O)C)C
InChi : InChI=1S/C17H32O2/c1-4-5-6-7-10-13-16(2)14-11-8-9-12-15-19-17(3)18/h10,13,16H,4-9,11-12,14-15H2,1-3H3/b13-10-/t16-/m0/s1
InChi Key : InChIKey=IUOFQMYQDUARQU-DDKJEQMHSA-N
PubChem ID : 5363222
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.648710
Hydrogen bond donor count : 0 Electric dipole moment : 2.218
XLogP : 7.269 VDW volume : 314.895733
Molecular weight : 268.24023 HOMO-LUMO gap : 10.809000
Herb list :
Refrences & Litretures:
  
672.      Journal:'Molecules'      Year:'2012'      Volume:'17'      Page:'11173'      DOI:'10.3390/molecules170911173'      Title:'Chemical Composition of Hexane Extract of Citrus aurantifolia and Anti-Mycobacterium tuberculosis Activity of Some of Its Constituents'
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