Structure Database (LMSD)
Systematic Name
1-acetyl-4-isopropenyl-cyclopentene
Synonyms
- 1-(4-(prop-1-en-2-yl)cyclopent-1-enyl)ethanone
3D model of
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
Level 4 Class
String Representations
InChiKey (Click to copy)
BTXSVMBTNJSALB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3
SMILES (Click to copy)
C1(C(C)=C)CC(C(C)=O)=CC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
170.07
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.49
Molar Refractivity
46.30
Admin
Created at
-
Updated at
-