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ScientificNameLabel
7-methyl-3-octen-2-one
PHCD compound ID : 4614
Chemical Names :
7-methyl-3-octen-2-one
Molecular Formula : C9H16O1
Molecular Weight : 140.120115
More Details :
Names & Synonyms: (E)-7-methyloct-3-en-2-one , (E)-7-methyl-3-octen-2-one
Smiles: CC(CC/C=C/C(=O)C)C
InChi : InChI=1S/C9H16O/c1-8(2)6-4-5-7-9(3)10/h5,7-8H,4,6H2,1-3H3/b7-5+
InChi Key : InChIKey=QFSMRIFNMXHJQK-FNORWQNLSA-N
PubChem ID : 5363231
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.031477
Hydrogen bond donor count : 0 Electric dipole moment : 3.358
XLogP : 3.108 VDW volume : 167.73763
Molecular weight : 140.120115 HOMO-LUMO gap : 10.047000
Herb list :
Refrences & Litretures:
  
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
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