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ScientificNameLabel
3-Methyl-3-buten-1-ol
PHCD compound ID : 871
Chemical Names :
3-Methyl-3-buten-1-ol , 3-Methylbut-3-en-1-ol
Molecular Formula : C5H10O1
Molecular Weight : 86.073165
More Details :
Names & Synonyms: 3-methylbut-3-en-1-ol , 3-methyl-3-buten-1-ol
Smiles: CC(=C)CCO
InChi : InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
InChi Key : InChIKey=CPJRRXSHAYUTGL-UHFFFAOYSA-N
PubChem ID : 12988
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.995990
Hydrogen bond donor count : 1 Electric dipole moment : 2.355
XLogP : 0.547 VDW volume : 101.19015
Molecular weight : 86.073165 HOMO-LUMO gap : 10.917000
Herb list :
Refrences & Litretures:
  
71.      Journal:'Food Chemistry'      Year:'2005'      Volume:'91'      Page:'131'      DOI:'10.1016/j.foodchem.2004.05.056'      Title:'Identi?cation of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties'
773.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2012'      Volume:'9'      Page:'359'      DOI:'10.1002/cbdv.201100326'      Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
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