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: 46
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
2-Methyloctadecane
ScientificNameLabel
2-Methyloctadecane
PHCD compound ID :
3836
Chemical Names :
Octadecane,2-methyl- , 2-Methyloctadecane
Molecular Formula :
C19H40
Molecular Weight :
268.313001
More Details :
Names & Synonyms:
2-methyloctadecane
Smiles:
CCCCCCCCCCCCCCCCC(C)C
InChi :
InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3
InChi Key :
InChIKey=KVQVGSDBGJXNGV-UHFFFAOYSA-N
PubChem ID :
15264
Rotatable bond count :
15
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
10.677998
Hydrogen bond donor count :
0
Electric dipole moment :
0.062
XLogP :
11.09
VDW volume :
337.180167
Molecular weight :
268.313001
HOMO-LUMO gap :
14.470000
Herb list :
Aloe - Aloe vera - صبر زرد
Oxtongue flower - Echium amoenum - گل گاو زبان
Refrences & Litretures:
515. Journal:'World J. Agric. Sci' Year:'2009' Volume:'5' Page:'572' DOI:'' Title:'Analysis of Phytochemical Constituents and Antimicrobial Activities of Aloe vera L. Against Clinical Pathogens'
642. Journal:'Journal of Essential Oil Bearing Plants' Year:'2005' Volume:'8' Page:'61' DOI:'10.1080/0972060X.2005.10643422' Title:'Essential Oil Composition of Echium amoenum Fisch. & C.A. Mey'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us