Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103830003
Common Name3-Copaene-2-ol
Systematic Name-
Synonyms-
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Copaane sesquiterpenoids [PR010383]
PubChem CID42608202
InChIKeyLTXWSWWXNHYXCW-SHBJXTLMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10-14,16H
,5-6H2,1-4H3/t10-,11+,12-,13?,14+,15?/m1/s1
SMILESC1[C@H](O)[C@]2([C@]3([H])[C@@H](C(C)C)CCC2(C3C=1C)C)[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
229.53Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.53Molar
Refractivity
66.41