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: 42
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Hexaethylene glycol monododecyl ether
ScientificNameLabel
Hexaethylene glycol monododecyl ether
PHCD compound ID :
1735
Chemical Names :
Hexaethylene glycol monododecyl ether
Molecular Formula :
C24H50O7
Molecular Weight :
450.355654
More Details :
Names & Synonyms:
2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol , 2-[2-[2-[2-[2-(2-lauryloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Smiles:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
InChi :
InChI=1S/C24H50O7/c1-2-3-4-5-6-7-8-9-10-11-13-26-15-17-28-19-21-30-23-24-31-22-20-29-18-16-27-14-12-25/h25H,2-24H2,1H3
InChi Key :
InChIKey=OJCFEGKCRWEVSN-UHFFFAOYSA-N
PubChem ID :
18282
Rotatable bond count :
28
Rule of five :
1
Hydrogen bond acceptor count :
7
Ionization potential :
9.443187
Hydrogen bond donor count :
1
Electric dipole moment :
3.213
XLogP :
4.263
VDW volume :
485.191677
Molecular weight :
450.355654
HOMO-LUMO gap :
11.238000
Herb list :
Maidenhair - Adiantum capillus-veneris - پرسياوش، پرسیاوشیان، پرسیاوشان
Wild celery, Celery - Apium graveolens - کرفس، کرفس وحشی
Refrences & Litretures:
195. Journal:'Int J Pharm Pharm Sci' Year:'2014' Volume:'6' Page:'60' DOI:'' Title:'GAS CHROMATOGRAPHY AND MASS SPECTROMETRY ANALYSIS OF BIOACTIVE CONSTITUENTS OF ADIANTUM CAPILLUS-VENERIS L'
806. Journal:'Immunopharmacology and Immunotoxicology' Year:'2012' Volume:'34' Page:'205' DOI:'10.3109/08923973.2011.592534' Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us