Structure Database (LMSD)
Common Name
Hexyl crotonate
Systematic Name
hexyl (2Z)-but-2-enoate
Synonyms
- WE(6:0/4:1(2Z))
3D model of Hexyl crotonate
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)
MZNHUHNWGVUEAT-YWEYNIOJSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4-
SMILES (Click to copy)
O(C(=O)/C=C\C)CCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.97
Molar Refractivity
50.41
Admin
Created at
-
Updated at
14th Jun 2023