Structure Database (LMSD)
Common Name
Methyl 2-heptenoate
Systematic Name
methyl (2E)-hept-2-enoate
Synonyms
3D model of Methyl 2-heptenoate
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)
IQQDLHGWGKEQDS-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h6-7H,3-5H2,1-2H3/b7-6+
SMILES (Click to copy)
O(C)C(/C=C/CCCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.91
Molar Refractivity
40.68
Admin
Created at
-
Updated at
6th Jun 2022