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: 49
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
13-Tetradecen-1-ol acetate
ScientificNameLabel
13-Tetradecen-1-ol acetate
PHCD compound ID :
5721
Chemical Names :
13-Tetradecen-1-ol acetate
Molecular Formula :
C16H30O2
Molecular Weight :
254.22458
More Details :
Names & Synonyms:
tetradec-13-enyl acetate , acetic acid tetradec-13-enyl ester , tetradec-13-enyl ethanoate
Smiles:
C=CCCCCCCCCCCCCOC(=O)C
InChi :
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3H,1,4-15H2,2H3
InChi Key :
InChIKey=DZXBZPMJYIXTTI-UHFFFAOYSA-N
PubChem ID :
521718
Rotatable bond count :
14
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
10.112114
Hydrogen bond donor count :
0
Electric dipole moment :
2.185
XLogP :
6.915
VDW volume :
297.599749
Molecular weight :
254.22458
HOMO-LUMO gap :
11.235000
Herb list :
Golden rod, Wound-weed - Solidago virgaurea - علف طلائی
Refrences & Litretures:
974. Journal:'European Food Research and Technology' Year:'2018' Volume:'244' Page:'1169' DOI:'10.1007/s00217-018-3034-3' Title:'Chromatographic fingerprint, antioxidant activity, and colour characteristic of polish goldenrod (Solidago virgaurea L.) honey and lower'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us