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: 41
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Tetradecanoic acid,trimethyl silyl ester
ScientificNameLabel
Tetradecanoic acid,trimethyl silyl ester
PHCD compound ID :
1351
Chemical Names :
Tetradecanoic acid,trimethyl silyl ester
Molecular Formula :
C17H36O2Si1
Molecular Weight :
300.248457
More Details :
Names & Synonyms:
trimethylsilyl tetradecanoate , tetradecanoic acid trimethylsilyl ester , myristic acid trimethylsilyl ester
Smiles:
CCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChi :
InChI=1S/C17H36O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-20(2,3)4/h5-16H2,1-4H3
InChi Key :
InChIKey=ZRVCKPDUOGAPSZ-UHFFFAOYSA-N
PubChem ID :
519592
Rotatable bond count :
14
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
10.572911
Hydrogen bond donor count :
0
Electric dipole moment :
1.998
XLogP :
8.369
VDW volume :
353.041036
Molecular weight :
300.248457
HOMO-LUMO gap :
11.357000
Herb list :
Rice - Oryza sativa - برنج
Refrences & Litretures:
145. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'645' DOI:'10.1080/0972060X.2012.10644099' Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us