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Octadecanoic acid butyl ester
PHCD compound ID : 4590
Chemical Names :
Octadecanoic acid butyl ester
Molecular Formula : C22H44O2
Molecular Weight : 340.334131
More Details :
Names & Synonyms: butyl octadecanoate , octadecanoic acid butyl ester , stearic acid butyl ester
Smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCC
InChi : InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
InChi Key : InChIKey=ULBTUVJTXULMLP-UHFFFAOYSA-N
PubChem ID : 31278
Rotatable bond count : 20 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.566353
Hydrogen bond donor count : 0 Electric dipole moment : 1.818
XLogP : 10.379 VDW volume : 404.012115
Molecular weight : 340.334131 HOMO-LUMO gap : 11.771000
Herb list :
Refrences & Litretures:
  
710.      Journal:'Rev. Latinoamer. Qu?m'      Year:'2007'      Volume:'35'      Page:'47'      DOI:''      Title:'Chemical Constituents of Clove (Syzygium aromaticum, Fam. Myrtaceae) and their Antioxidant Activity'
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