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: 32
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Tetradecanoic acid,5,9,13-trimethyl
ScientificNameLabel
Tetradecanoic acid,5,9,13-trimethyl
PHCD compound ID :
3857
Chemical Names :
Tetradecanoic acid,5,9,13-trimethyl
Molecular Formula :
C17H34O2
Molecular Weight :
270.25588
More Details :
Names & Synonyms:
5,9,13-trimethyltetradecanoic acid , 5,9,13-trimethylmyristic acid
Smiles:
C[C@H](CCCC(C)C)CCC[C@@H](CCCC(=O)O)C
InChi :
InChI=1S/C17H34O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h14-16H,5-13H2,1-4H3,(H,18,19)/t15-,16+/m1/s1
InChi Key :
InChIKey=AMCIEXNSDXERAY-CVEARBPZSA-N
PubChem ID :
152436
Rotatable bond count :
12
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
10.696165
Hydrogen bond donor count :
1
Electric dipole moment :
1.808
XLogP :
7.956
VDW volume :
317.532192
Molecular weight :
270.25588
HOMO-LUMO gap :
11.656000
Herb list :
Musk melon, Sweet melon - Cucumis melo - خربزه، خربزه وحشی
Refrences & Litretures:
520. Journal:'Pharmacognosy Magazine' Year:'2013' Volume:'9' Page:'58' DOI:'10.4103/0973-1296.108142' Title:'Characterization and chemical composition of fatty acids content of watermelon and muskmelon cultivars in Saudi Arabia using gas chromatography/mass spectroscopy'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us