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ScientificNameLabel
Hept-1-en-3-yl acetate
PHCD compound ID : 2300
Chemical Names :
Hept-1-en-3-yl acetate
Molecular Formula : C9H16O2
Molecular Weight : 156.11503
More Details :
Names & Synonyms: 1-vinylpentyl acetate , acetic acid hept-1-en-3-yl ester , hept-1-en-3-yl acetate , hept-1-en-3-yl ethanoate , acetic acid 1-butylallyl ester
Smiles: CCCC[C@H](OC(=O)C)C=C
InChi : InChI=1S/C9H16O2/c1-4-6-7-9(5-2)11-8(3)10/h5,9H,2,4,6-7H2,1,3H3/t9-/m1/s1
InChi Key : InChIKey=SIOVHXRHPCJGFJ-SECBINFHSA-N
PubChem ID : 3015819
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.372220
Hydrogen bond donor count : 0 Electric dipole moment : 1.948
XLogP : 2.878 VDW volume : 176.527856
Molecular weight : 156.11503 HOMO-LUMO gap : 11.150000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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