Skip Navigation Links
ScientificNameLabel
Alpha-trans-ocimene
PHCD compound ID : 1853
Chemical Names :
1,3,7-Octatriene,3,7-dimethyl , Alpha-trans-ocimene
Molecular Formula : C10H16
Molecular Weight : 136.125201
More Details :
Names & Synonyms: (3E)-3,7-dimethylocta-1,3,7-triene
Smiles: C=C/C(=C/CCC(=C)C)/C
InChi : InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
InChi Key : InChIKey=XJPBRODHZKDRCB-CSKARUKUSA-N
PubChem ID : 5320249
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.262287
Hydrogen bond donor count : 0 Electric dipole moment : 1.077
XLogP : 4.17 VDW volume : 173.606929
Molecular weight : 136.125201 HOMO-LUMO gap : 9.804000
Herb list :
Refrences & Litretures:
  
219.      Journal:'Intl J Agri Crop Sci'      Year:'2013'      Volume:'5'      Page:'1946'      DOI:''      Title:'Chemical analysis and Identification of the components of two ecotypes of (Mentha Longifolia L. ( in Iran province'
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us