Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 42
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Ethyl pentadecanoate
ScientificNameLabel
Ethyl pentadecanoate
PHCD compound ID :
3854
Chemical Names :
Pentadecanoic acid,ethyl ester , Ethyl pentadecanoate
Molecular Formula :
C17H34O2
Molecular Weight :
270.25588
More Details :
Names & Synonyms:
ethyl pentadecanoate , pentadecanoic acid ethyl ester
Smiles:
CCCCCCCCCCCCCCC(=O)OCC
InChi :
InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h3-16H2,1-2H3
InChi Key :
InChIKey=PTEYJUIKYIKULL-UHFFFAOYSA-N
PubChem ID :
38762
Rotatable bond count :
15
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
10.714944
Hydrogen bond donor count :
0
Electric dipole moment :
1.966
XLogP :
7.745
VDW volume :
317.532192
Molecular weight :
270.25588
HOMO-LUMO gap :
11.908000
Herb list :
Alfalfa, Lucerne - Medicago sativa - یونجه
Caper - Capparis spinosa - کبر، لگجی، علف مار، کور
Musk melon, Sweet melon - Cucumis melo - خربزه، خربزه وحشی
Refrences & Litretures:
519. Journal:'International Journal of Technology Enhancements and Emerging Engineering Research' Year:'2014' Volume:'2' Page:'120' DOI:'' Title:'Chemical Composition And Antibacterial Activity Of The Essential Oil Isolated From Seinat (Cucumis Melo Var. Tibish) Seeds'
582. Journal:'Food Chemistry' Year:'2007' Volume:'101' Page:'1272' DOI:'10.1016/j.foodchem.2005.12.029' Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
749. Journal:'J. Agric. food Chem' Year:'1983' Volume:'31' Page:'38' DOI:'10.1021/jf00115a010' Title:'Composition of the Essential Oil of Alfalfa'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us