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: 47
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
2-Methylhexadecan-1-ol
ScientificNameLabel
2-Methylhexadecan-1-ol
PHCD compound ID :
5462
Chemical Names :
2-Methylhexadecan-1-ol
Molecular Formula :
C17H36O1
Molecular Weight :
256.276616
More Details :
Names & Synonyms:
2-methylhexadecan-1-ol , 2-methyl-1-hexadecanol
Smiles:
CCCCCCCCCCCCCC[C@H](CO)C
InChi :
InChI=1S/C17H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-18/h17-18H,3-16H2,1-2H3/t17-/m1/s1
InChi Key :
InChIKey=FCSBKDJGLIURSH-QGZVFWFLSA-N
PubChem ID :
17218
Rotatable bond count :
14
Rule of five :
2
Hydrogen bond acceptor count :
1
Ionization potential :
10.405085
Hydrogen bond donor count :
1
Electric dipole moment :
1.575
XLogP :
7.976
VDW volume :
311.378424
Molecular weight :
256.276616
HOMO-LUMO gap :
13.404000
Herb list :
Wild olive, Russian olive, Oleaster - Elaeagnus angustifolia - سنجد
Refrences & Litretures:
909. Journal:'Adv Pharm Bull' Year:'2016' Volume:'6' Page:'163' DOI:'10.15171/apb.2016.023' Title:'Essential Oil from Flowers and Leaves of Elaeagnus Angustifolia (Elaeagnaceae): Composition, Radical Scavenging and General Toxicity Activities'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us