Structure Database (LMSD)
Common Name
cis-3-Octenyl propionate
Systematic Name
(3Z)-oct-3-en-1-yl propanoate
Synonyms
3D model of cis-3-Octenyl propionate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NTQOADMSKSBQCI-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
SMILES (Click to copy)
CCC(OCC/C=C\CCCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
211.16
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.36
Molar Refractivity
55.02
Admin
Created at
-
Updated at
6th Jun 2022