Structure database (LMSD)

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LM IDLMPR0103010012
Common Name(2-trans,6-trans)-farnesal
Systematic Name(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
Synonyms(2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trienal;(2E,6E)-3,7,11-
trimethyl-2,6,10-dodecatrienal;(2E,6E)-farnesal;(E,E)-3,7,11-trimethyl-2,6,10-
dodecatrienal; 2-trans,6-trans-Farnesal; 2-trans,6-trans-farnesal; E,E-
farnesal; trans,trans-2,6-farnesal; trans-farnesal
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 CID5280598
KEGG IDC03461
HMDB IDHMDB0060356
CHEBI ID15894
InChIKeyYHRUHBBTQZKMEX-YFVJMOTDSA-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)\CC/C=C(\C)/CC/C=C(\C)/C)/C=O
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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