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: 35
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
2-Butoxyethyl acetate
ScientificNameLabel
2-Butoxyethyl acetate
PHCD compound ID :
2063
Chemical Names :
2-Butoxyethyl acetate , 2-butoxyethanol acetate
Molecular Formula :
C8H16O3
Molecular Weight :
160.109944
More Details :
Names & Synonyms:
2-butoxyethyl acetate , acetic acid 2-butoxyethyl ester , 2-butoxyethyl ethanoate
Smiles:
CCCCOCCOC(=O)C
InChi :
InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
InChi Key :
InChIKey=NQBXSWAWVZHKBZ-UHFFFAOYSA-N
PubChem ID :
8160
Rotatable bond count :
7
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
10.046486
Hydrogen bond donor count :
0
Electric dipole moment :
3.402
XLogP :
1.401
VDW volume :
170.658557
Molecular weight :
160.109944
HOMO-LUMO gap :
11.127000
Herb list :
Tamarind, Indian date - Tamarindus indica - تمرهندی
Refrences & Litretures:
245. Journal:'The Pharma Innovation Journal' Year:'2015' Volume:'4' Page:'90' DOI:'' Title:'Chemical composition and antimalarial activity of extracts of Sudanese Tamarindus indica L. (Fabaceae)'
251. Journal:'Journal of Essential Oil Research' Year:'2004' Volume:'16' Page:'318' DOI:'10.1080/10412905.2004.9698731' Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us