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ScientificNameLabel
3-Penten-2-ol
PHCD compound ID : 883
Chemical Names :
3-Penten-2-ol
Molecular Formula : C5H10O1
Molecular Weight : 86.073165
More Details :
Names & Synonyms: (E)-pent-3-en-2-ol , (E)-3-penten-2-ol
Smiles: C/C=C/[C@H](O)C
InChi : InChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3/b4-3+/t5-/m1/s1
InChi Key : InChIKey=GJYMQFMQRRNLCY-QLSVQJPWSA-N
PubChem ID : 5366239
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.981432
Hydrogen bond donor count : 1 Electric dipole moment : 2.318
XLogP : 1.166 VDW volume : 101.19015
Molecular weight : 86.073165 HOMO-LUMO gap : 10.802000
Herb list :
Refrences & Litretures:
  
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'
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