Skip Navigation Links
ScientificNameLabel
3,7-dimethyl-n-octan-1-yl benzoate
PHCD compound ID : 1383
Chemical Names :
3,7-dimethyl-n-octan-1-yl benzoate
Molecular Formula : C17H26O2
Molecular Weight : 262.19328
More Details :
Names & Synonyms:
Smiles: C[C@H](CCOC(=O)c1ccccc1)CCCC(C)C
InChi : InChI=1S/C17H26O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,10-11,14-15H,7-9,12-13H2,1-3H3/t15-/m0/s1
InChi Key : InChIKey=SZLIWAKTUJFFNX-HNNXBMFYSA-N
PubChem ID :
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.113715
Hydrogen bond donor count : 0 Electric dipole moment : 2.363
XLogP : 5.945 VDW volume : 286.366357
Molecular weight : 262.19328 HOMO-LUMO gap : 9.572000
Herb list :
Refrences & Litretures:
  
146.      Journal:'Phytochem. Anal'      Year:'2006'      Volume:'17'      Page:'36'      DOI:'10.1002/pca.879'      Title:'Chemical Constituents of Rice (Oryza sativa) Hulls and their Herbicidal Activity against Duckweed (Lemna paucicostata Hegelm 381)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us