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: 28
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
1-Pentadecene
ScientificNameLabel
1-Pentadecene
PHCD compound ID :
2476
Chemical Names :
1-Pentadecene
Molecular Formula :
C15H30
Molecular Weight :
210.234751
More Details :
Names & Synonyms:
pentadec-1-ene , 1-pentadecene
Smiles:
CCCCCCCCCCCCCC=C
InChi :
InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3
InChi Key :
InChIKey=PJLHTVIBELQURV-UHFFFAOYSA-N
PubChem ID :
25913
Rotatable bond count :
12
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
10.097599
Hydrogen bond donor count :
0
Electric dipole moment :
0.583
XLogP :
8.509
VDW volume :
265.359769
Molecular weight :
210.234751
HOMO-LUMO gap :
11.238000
Herb list :
Betony - Stachys lavandulifolia Vahl - چای کوهی، سنبله ای زیبا
Red pepper - Capsicum annuum - فلفل قرمز
Safflower, False saffron - Carthamus tinctorius - گلرنگ، کاجیره، کافشه
Refrences & Litretures:
285. Journal:'Journal of Herbal Drugs' Year:'2013' Volume:'4' Page:'137' DOI:'' Title:'Phytochemical of essential oil of Stachys lavandulifolia Vahl. collected from a natural habitat in western Isfahan, Iran'
546. Journal:'Food Chemistry' Year:'2007' Volume:'102' Page:'1096' DOI:'10.1016/j.foodchem.2006.06.047' Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
654. Journal:'Acta Physiol Plant' Year:'2012' Volume:'34' Page:'129' DOI:'10.1007/s11738-011-0811-z' Title:'Effect of salt stress on growth, fatty acids and essential oils in saf?ower (Carthamus tinctorius L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us