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: 29
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
presilphiperfol-1-ene
ScientificNameLabel
presilphiperfol-1-ene
PHCD compound ID :
4605
Chemical Names :
presilphiperfol-1-ene
Molecular Formula :
C15H24
Molecular Weight :
204.187801
More Details :
Names & Synonyms:
Smiles:
C[C@@H]1CC[C@@H]2[C@H]3C1=CC[C@@]3(C)CC2(C)C
InChi :
InChI=1S/C15H24/c1-10-5-6-12-13-11(10)7-8-15(13,4)9-14(12,2)3/h7,10,12-13H,5-6,8-9H2,1-4H3/t10-,12-,13-,15+/m1/s1
InChi Key :
InChIKey=LXVDTAOGFYGAQD-OPQSFPLASA-N
PubChem ID :
15484925
Rotatable bond count :
0
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
8.944835
Hydrogen bond donor count :
0
Electric dipole moment :
0.698
XLogP :
6.488
VDW volume :
228.290393
Molecular weight :
204.187801
HOMO-LUMO gap :
10.378000
Herb list :
Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ
Refrences & Litretures:
714. Journal:'African Journal of Biotechnology' Year:'2010' Volume:'9' Page:'2709' DOI:'' Title:'Phenols, essential oils and carotenoids of Rosa canina from Tunisia and their antioxidant activities'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us