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ScientificNameLabel
4-acetoxypentadecane
PHCD compound ID : 2894
Chemical Names :
4-acetoxypentadecane
Molecular Formula : C17H34O2
Molecular Weight : 270.25588
More Details :
Names & Synonyms: 1-propyldodecyl acetate , acetic acid pentadecan-4-yl ester , pentadecan-4-yl acetate , pentadecan-4-yl ethanoate , acetic acid 1-propyldodecyl ester
Smiles: CCCCCCCCCCC[C@H](OC(=O)C)CCC
InChi : InChI=1S/C17H34O2/c1-4-6-7-8-9-10-11-12-13-15-17(14-5-2)19-16(3)18/h17H,4-15H2,1-3H3/t17-/m1/s1
InChi Key : InChIKey=NXQQPFMQBLJHRC-QGZVFWFLSA-N
PubChem ID : 536314
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.638968
Hydrogen bond donor count : 0 Electric dipole moment : 1.997
XLogP : 7.53 VDW volume : 317.532192
Molecular weight : 270.25588 HOMO-LUMO gap : 11.897000
Herb list :
Refrences & Litretures:
  
368.      Journal:'Journal of Reports in Pharmaceutical Sciences'      Year:'2013'      Volume:'2'      Page:'165'      DOI:''      Title:'Chemical Composition and General Toxicity of Essential Oil Extracted from the Stalks and Flowers of Rheum Ribes L. Growing in Iran'
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