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: 31
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
2-Methyltridecane
ScientificNameLabel
2-Methyltridecane
PHCD compound ID :
3945
Chemical Names :
2-Methyltridecane
Molecular Formula :
C14H30
Molecular Weight :
198.234751
More Details :
Names & Synonyms:
2-methyltridecane
Smiles:
CCCCCCCCCCCC(C)C
InChi :
InChI=1S/C14H30/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h14H,4-13H2,1-3H3
InChi Key :
InChIKey=CJBFZKZYIPBBTO-UHFFFAOYSA-N
PubChem ID :
15269
Rotatable bond count :
10
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.744689
Hydrogen bond donor count :
0
Electric dipole moment :
0.111
XLogP :
8.245
VDW volume :
250.700243
Molecular weight :
198.234751
HOMO-LUMO gap :
14.567000
Herb list :
Red pepper - Capsicum annuum - فلفل قرمز
Refrences & Litretures:
542. Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech' Year:'2015' Volume:'320' Page:'95' DOI:'' Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us