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ScientificNameLabel
6-pentyl-5,6-dihydro-2H-pyran-2-one
PHCD compound ID : 2188
Chemical Names :
6-pentyl-5,6-dihydro-2H-pyran-2-one
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms: 2-pentyl-2,3-dihydropyran-6-one , 2-amyl-2,3-dihydropyran-6-one
Smiles: CCCCC[C@H]1CC=CC(=O)O1
InChi : InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3/t9-/m0/s1
InChi Key : InChIKey=NEDIAPMWNCQWNW-VIFPVBQESA-N
PubChem ID : 39914
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.431981
Hydrogen bond donor count : 0 Electric dipole moment : 5.277
XLogP : 2.991 VDW volume : 181.467382
Molecular weight : 168.11503 HOMO-LUMO gap : 10.098000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
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