Structure Database (LMSD)
Common Name
Cadalene
Systematic Name
4-Isopropyl-1,6-dimethylnaphthalene
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cadalene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
VMOJIHDTVZTGDO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3
SMILES (Click to copy)
C1C(C)=C2C=CC(C)=CC2=C(C(C)C)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
2
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
208.34
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
4.58
Molar Refractivity
67.51
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Created at
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Updated at
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