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ScientificNameLabel
1-hexen-3-o1
PHCD compound ID : 2245
Chemical Names :
Hex-1-en-3-ol , 1-hexen-3-o1
Molecular Formula : C6H12O1
Molecular Weight : 100.088815
More Details :
Names & Synonyms: hex-1-en-3-ol , 1-hexen-3-ol
Smiles: CCC[C@@H](C=C)O
InChi : InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3/t6-/m1/s1
InChi Key : InChIKey=BVOSSZSHBZQJOI-ZCFIWIBFSA-N
PubChem ID : 20928
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.383900
Hydrogen bond donor count : 1 Electric dipole moment : 1.609
XLogP : 1.569 VDW volume : 118.486134
Molecular weight : 100.088815 HOMO-LUMO gap : 11.104000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
339.      Journal:'J. Agric. Food Chem'      Year:'1978'      Volume:'26'      Page:'1290'      DOI:'10.1021/jf60220a012'      Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
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