Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103060015
Common Nameα-curcumene
Systematic Name1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene
Synonyms-
Exact Mass
202.1721 (neutral)    Calculate m/z:
FormulaC15H22
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Bisabolane sesquiterpenoids [PR010306]
PubChem CID3083834
InChIKeyVMYXUZSZMNBRCN-AWEZNQCLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/
t14-/m0/s1
SMILESC1=CC([C@@H](C)CC/C=C(\C)/C)=CC=C1C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings1Rotatable Bonds4
 van der Waals
Molecular Volume
234.24Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.84Molar
Refractivity
68.26