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ScientificNameLabel
Isoamyl benzyl ether
PHCD compound ID : 338
Chemical Names :
Isoamyl benzyl ether
Molecular Formula : C12H18O1
Molecular Weight : 178.135765
More Details :
Names & Synonyms: isopentyloxymethylbenzene , 3-methylbutoxymethylbenzene , isoamoxymethylbenzene
Smiles: CC(CCOCc1ccccc1)C
InChi : InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChi Key : InChIKey=RXXCIBALSKQCAE-UHFFFAOYSA-N
PubChem ID : 31227
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.364923
Hydrogen bond donor count : 0 Electric dipole moment : 1.715
XLogP : 2.97 VDW volume : 193.732666
Molecular weight : 178.135765 HOMO-LUMO gap : 9.703000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
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