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: 45
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Vinyl Ether Divinyl oxide
ScientificNameLabel
Vinyl Ether Divinyl oxide
PHCD compound ID :
5498
Chemical Names :
Vinyl Ether Divinyl oxide
Molecular Formula :
C4H6O1
Molecular Weight :
70.041865
More Details :
Names & Synonyms:
vinyloxyethylene , ethenoxyethene
Smiles:
C=COC=C
InChi :
InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2
InChi Key :
InChIKey=QYKIQEUNHZKYBP-UHFFFAOYSA-N
PubChem ID :
8024
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.301242
Hydrogen bond donor count :
0
Electric dipole moment :
1.691
XLogP :
1.277
VDW volume :
81.257707
Molecular weight :
70.041865
HOMO-LUMO gap :
9.908000
Herb list :
Globe thistle - Echinops robustus - شکرتیغال غول آسا
Refrences & Litretures:
923. Journal:'Letters in Applied NanoBioScience' Year:'2020' Volume:'9' Page:'849' DOI:'10.33263/LIANBS91.849852' Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us