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: 27
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Cyclopentane,1,2-dimethyl-3-(1-methylethenyl)
ScientificNameLabel
Cyclopentane,1,2-dimethyl-3-(1-methylethenyl)
PHCD compound ID :
1859
Chemical Names :
Cyclopentane,1,2-dimethyl-3-(1-methylethenyl)
Molecular Formula :
C10H18
Molecular Weight :
138.140851
More Details :
Names & Synonyms:
1-isopropenyl-2,3-dimethyl-cyclopentane , 1,2-dimethyl-3-(1-methylethenyl)cyclopentane , 1,2-dimethyl-3-prop-1-en-2-ylcyclopentane , 1,2-dimethyl-3-prop-1-en-2-yl-cyclopentane
Smiles:
CC(=C)[C@H]1CC[C@H]([C@@H]1C)C
InChi :
InChI=1S/C10H18/c1-7(2)10-6-5-8(3)9(10)4/h8-10H,1,5-6H2,2-4H3/t8-,9+,10-/m1/s1
InChi Key :
InChIKey=ZBKRDRMFFBPADO-KXUCPTDWSA-N
PubChem ID :
522361
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
9.581381
Hydrogen bond donor count :
0
Electric dipole moment :
0.719
XLogP :
4.63
VDW volume :
166.523388
Molecular weight :
138.140851
HOMO-LUMO gap :
10.863000
Herb list :
Horsemint, Brookmint - Mentha longifolia - پونه، پودنه
Refrences & Litretures:
219. Journal:'Intl J Agri Crop Sci' Year:'2013' Volume:'5' Page:'1946' DOI:'' Title:'Chemical analysis and Identification of the components of two ecotypes of (Mentha Longifolia L. ( in Iran province'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us