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: 49
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Beta-Cyclogeraniol
ScientificNameLabel
Beta-Cyclogeraniol
PHCD compound ID :
4799
Chemical Names :
Beta-Cyclogeraniol
Molecular Formula :
C10H18O1
Molecular Weight :
154.135765
More Details :
Names & Synonyms:
(2,6,6-trimethylcyclohexen-1-yl)methanol , (2,6,6-trimethyl-1-cyclohexenyl)methanol
Smiles:
OCC1=C(C)CCCC1(C)C
InChi :
InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h11H,4-7H2,1-3H3
InChi Key :
InChIKey=QWNGCDQJLXENDZ-UHFFFAOYSA-N
PubChem ID :
111664
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.225172
Hydrogen bond donor count :
1
Electric dipole moment :
2.058
XLogP :
2.057
VDW volume :
175.313614
Molecular weight :
154.135765
HOMO-LUMO gap :
10.275000
Herb list :
Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار
Refrences & Litretures:
773. Journal:'CHEMISTRY & BIODIVERSITY' Year:'2012' Volume:'9' Page:'359' DOI:'10.1002/cbdv.201100326' Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us