Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103010007
Common Name2E,6Z-farnesal
Systematic Name3,7,11-trimethyldodeca-2Z,6E,10-trienal
Synonyms-
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Acyclic farnesane sesquiterpenoids [PR010301]
PubChem CID5365890
CHEBI ID35968
InChIKeyYHRUHBBTQZKMEX-PVMFERMNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11-
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SMILES
C/C(=C/C=O)/CC/C=C(\C)/CC/C=C(\C)/C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
266.29Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP4.60Molar
Refractivity
71.48