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ScientificNameLabel
2-Octen-1-ol,3,7-dimethyl-,isobutyrate,(Z)-
PHCD compound ID : 1237
Chemical Names :
2-Octen-1-ol,3,7-dimethyl-,isobutyrate,(Z)-
Molecular Formula : C14H26O2
Molecular Weight : 226.19328
More Details :
Names & Synonyms: [(Z)-3,7-dimethyloct-2-enyl] 2-methylpropanoate , 2-methylpropanoic acid [(Z)-3,7-dimethyloct-2-enyl] ester , 2-methylpropionic acid [(Z)-3,7-dimethyloct-2-enyl] ester
Smiles: CC(CCC/C(=C\COC(=O)C(C)C)/C)C
InChi : InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h9,11-12H,6-8,10H2,1-5H3/b13-9-
InChi Key : InChIKey=BPPLLUJIDJAZFE-LCYFTJDESA-N
PubChem ID : 5365020
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.564879
Hydrogen bond donor count : 0 Electric dipole moment : 1.933
XLogP : 4.667 VDW volume : 263.007779
Molecular weight : 226.19328 HOMO-LUMO gap : 10.406000
Herb list :
Refrences & Litretures:
  
130.      Journal:'J. Sci. Res'      Year:'2009'      Volume:'1'      Page:'387'      DOI:'10.3329/jsr.v1i2.1760'      Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'
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