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ScientificNameLabel
3-methyl-2-butenol
PHCD compound ID : 872
Chemical Names :
3-Methyl-2-buten-1-ol , 3-methyl-2-butenol , 3-Methylbut-2-en-1-ol
Molecular Formula : C5H10O1
Molecular Weight : 86.073165
More Details :
Names & Synonyms: 3-methylbut-2-en-1-ol , 3-methyl-2-buten-1-ol
Smiles: OCC=C(C)C
InChi : InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
InChi Key : InChIKey=ASUAYTHWZCLXAN-UHFFFAOYSA-N
PubChem ID : 11173
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.549136
Hydrogen bond donor count : 1 Electric dipole moment : 2.683
XLogP : 0.702 VDW volume : 101.19015
Molecular weight : 86.073165 HOMO-LUMO gap : 10.555000
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'
72.      Journal:'Industrial Crops and Products'      Year:'2006'      Volume:'24'      Page:'253'      DOI:'10.1016/j.indcrop.2006.06.011'      Title:'Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition'
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
290.      Journal:'Journal of Essential Oil Research'      Year:'1995'      Volume:'7'      Page:'425'      DOI:'10.1080/10412905.1995.9698554'      Title:'Volatile Components of Lawsonia inermis L. Flowers'
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
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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