Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103830002
Common Name3-Copaene
Systematic Name-
Synonyms-
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Copaane sesquiterpenoids [PR010383]
PubChem CID42608201
InChIKeyVLXDPFLIRFYIME-RIUMEUQESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,
1-4H3/t11-,12+,13+,14?,15?/m1/s1
SMILESC1C[C@]2([C@]3([H])[C@@H](C(C)C)CCC2(C3C=1C)C)[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
220.74Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.27Molar
Refractivity
64.51