Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103550002
Common Name(+)-Trans-4(11),8-aucadiene
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 4Daucane sesquiterpenoids [PR010355]
PubChem CID11586486
InChIKeyPRQLWQYYMJZORK-GJZGRUSLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,14H,5-6,8-10H2,1-4
H3/t14-,15-/m0/s1
SMILES[C@@]12([H])CCC(C)=CC[C@@]1(C)CC/C/2=C(/C)\C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
238.06Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.87Molar
Refractivity
66.81