Structure Database (LMSD)

Common Name
Cadalene
Systematic Name
4-Isopropyl-1,6-dimethylnaphthalene
Synonyms
LM ID
LMPR0103330007
Status
Active
Exact Mass
Calculate m/z
198.14085
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Other Databases

Wikipedia
HMDB ID
CHEBI ID
PubChem CID

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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