Structure Database (LMSD)
Systematic Name
10Z-heptadecenenitrile
Synonyms
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
OWQVAJLXBGWUJG-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C17H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h7-8H,2-6,9-16H2,1H3/b8-7-
SMILES (Click to copy)
C(CCCCC/C=C\CCCCCC)CCC#N
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pseudomonas veronii
(#76761)
Gammaproteobacteria
(#1236)
Long-Chain Alkyl Cyanides: Unprecedented Volatile Compounds Released by Pseudomonas and Micromonospora Bacteria.,
Angew Chem Int Ed Engl, 2017
Angew Chem Int Ed Engl, 2017
Pubmed ID:
28276609
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
305.74
Topological Polar Surface Area
23.79
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
6.16
Molar Refractivity
80.45
Admin
Created at
12th May 2021
Updated at
13th May 2021