Structure Database (LMSD)
Common Name
Perillyl aldehyde
Systematic Name
Synonyms
3D model of Perillyl aldehyde
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)
RUMOYJJNUMEFDD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
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
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Updated at
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