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: 52
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
1-cyclohexene-1-carboxaldehyde
ScientificNameLabel
1-cyclohexene-1-carboxaldehyde
PHCD compound ID :
5420
Chemical Names :
1-cyclohexene-1-carboxaldehyde
Molecular Formula :
C7H10O1
Molecular Weight :
110.073165
More Details :
Names & Synonyms:
cyclohexene-1-carbaldehyde , 1-cyclohexenecarboxaldehyde
Smiles:
O=CC1=CCCCC1
InChi :
InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h4,6H,1-3,5H2
InChi Key :
InChIKey=OANSOJSBHVENEI-UHFFFAOYSA-N
PubChem ID :
5184540
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.945314
Hydrogen bond donor count :
0
Electric dipole moment :
3.491
XLogP :
1.586
VDW volume :
120.789202
Molecular weight :
110.073165
HOMO-LUMO gap :
9.772000
Herb list :
- Salvia hydrangea DC. Ex Benth - مریم گلی تماشائی، عقربان، گل ارونه
Refrences & Litretures:
897. Journal:'Journal of Medicinal Plants and By-products' Year:'2016' Volume:'2' Page:'159' DOI:'' Title:'Essential Oils of Salvia hydrangea DC. ex Benth. from Kiasar-Hezarjarib regions, Iran-Impact of eEnvironmental Factors as Quality Determinants'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us