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(Z)-Phytol
PHCD compound ID : 4539
Chemical Names :
(Z)-Phytol
Molecular Formula : C20H40O1
Molecular Weight : 296.307916
More Details :
Names & Synonyms: (Z)-3,7,11,15-tetramethylhexadec-2-en-1-ol , (Z)-3,7,11,15-tetramethyl-2-hexadecen-1-ol
Smiles: OC/C=C(\CCC[C@H](CCC[C@@H](CCCC(C)C)C)C)/C
InChi : InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15-/t18-,19+/m1/s1
InChi Key : InChIKey=BOTWFXYSPFMFNR-XKUXXELXSA-N
PubChem ID : 5320547
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 9.275411
Hydrogen bond donor count : 1 Electric dipole moment : 2.302
XLogP : 8.949 VDW volume : 360.629919
Molecular weight : 296.307916 HOMO-LUMO gap : 10.530000
Herb list :
Refrences & Litretures:
  
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
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