Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102090014
Common Namep-Cymene (W)
Systematic Name-
Synonyms-
Exact Mass
134.1096 (neutral)    Calculate m/z:
FormulaC10H14
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Menthane monoterpenoids [PR010209]
PubChem CID7463
KEGG IDC06575
HMDB IDHMDB0005805
CHEBI ID28768
CAYMAN ID23159
InChIKeyHFPZCAJZSCWRBC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
SMILESC1(=CC=C(C)C=C1)C(C)C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings1Aromatic Rings1Rotatable Bonds1
 van der Waals
Molecular Volume
150.38Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP3.12Molar
Refractivity
45.27