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 >
(+)-carvomenthene
ScientificNameLabel
(+)-carvomenthene
PHCD compound ID :
5474
Chemical Names :
(+)-carvomenthene
Molecular Formula :
C10H18
Molecular Weight :
138.140851
More Details :
Names & Synonyms:
(4R)-4-isopropyl-1-methyl-cyclohexene , (4R)-1-methyl-4-propan-2-ylcyclohexene , (4
R
)-1-methyl-4-propan-2-ylcyclohexene , (4R)-1-methyl-4-propan-2-yl-cyclohexene
Smiles:
CC1=CC[C@@H](CC1)C(C)C
InChi :
InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3/t10-/m0/s1
InChi Key :
InChIKey=FAMJUFMHYAFYNU-JTQLQIEISA-N
PubChem ID :
70954
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
9.106723
Hydrogen bond donor count :
0
Electric dipole moment :
0.449
XLogP :
4.545
VDW volume :
166.523388
Molecular weight :
138.140851
HOMO-LUMO gap :
10.587000
Herb list :
Horehound - Marrubium vulgare L - فراسیون
Refrences & Litretures:
915. Journal:'International Journal of Plant Science and Ecology' Year:'2015' Volume:'1' Page:'138' DOI:'' Title:'Essential Oil Composition of Marrubium vulgare L. Cultivated in Egypt'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us