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ScientificNameLabel
Pentadecanol
PHCD compound ID : 2774
Chemical Names :
Pentadecanol , n-Pentadecanol
Molecular Formula : C15H32O1
Molecular Weight : 228.245316
More Details :
Names & Synonyms: pentadecan-1-ol , 1-pentadecanol
Smiles: CCCCCCCCCCCCCCCO
InChi : InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
InChi Key : InChIKey=REIUXOLGHVXAEO-UHFFFAOYSA-N
PubChem ID : 12397
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 10.532228
Hydrogen bond donor count : 1 Electric dipole moment : 1.845
XLogP : 7.11 VDW volume : 276.786455
Molecular weight : 228.245316 HOMO-LUMO gap : 13.379000
Herb list :
Refrences & Litretures:
  
323.      Journal:'J. Agric. Food Chem'      Year:'2000'      Volume:'48'      Page:'4294'      DOI:'10.1021/jf991395c'      Title:'Chemical Composition of the Flower Oil of Cinnamomum zeylanicum Blume'
430.      Journal:'Phytochemistry'      Year:'2002'      Volume:'61'      Page:'573'      DOI:''      Title:'Potential allelochemicals from the essential oil of Ruta graveolens'
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
632.      Journal:'J. Med. Plants Res'      Year:'2012'      Volume:'6'      Page:'5495'      DOI:'10.5897/JMPR12.318'      Title:'Analysis of essential oil from nine distinct genotypes of Iranian Damask rose (Rosa damascena Mill)'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
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