Structure database (LMSD)

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LM IDLMPR0103330007
Common NameCadalene (W)
Systematic Name4-Isopropyl-1,6-dimethylnaphthalene
Synonyms-
Exact Mass
198.1409 (neutral)    Calculate m/z:
FormulaC15H18
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Cadinane sesquiterpenoids [PR010333]
PubChem CID10225
HMDB IDHMDB0059698
CHEBI ID89476
InChIKeyVMOJIHDTVZTGDO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3
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SMILES
C1C(C)=C2C=CC(C)=CC2=C(C(C)C)C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings2Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
208.34Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.58Molar
Refractivity
67.51