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: 33
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
2-Methylhexadec-1-ene
ScientificNameLabel
2-Methylhexadec-1-ene
PHCD compound ID :
3954
Chemical Names :
2-Methylhexadec-1-ene
Molecular Formula :
C17H34
Molecular Weight :
238.266051
More Details :
Names & Synonyms:
2-methylhexadec-1-ene , 2-methyl-1-hexadecene
Smiles:
CCCCCCCCCCCCCCC(=C)C
InChi :
InChI=1S/C17H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h2,4-16H2,1,3H3
InChi Key :
InChIKey=DRLMBCPWFSTWNY-UHFFFAOYSA-N
PubChem ID :
521995
Rotatable bond count :
13
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
9.687526
Hydrogen bond donor count :
0
Electric dipole moment :
0.901
XLogP :
9.14
VDW volume :
299.951739
Molecular weight :
238.266051
HOMO-LUMO gap :
10.980000
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