Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103010001
Common Name2E,6E-farnesol (W)
Systematic Name2E,6E-farnesol
Synonyms-
Exact Mass
222.1984 (neutral)    Calculate m/z:
FormulaC15H26O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Acyclic farnesane sesquiterpenoids [PR010301]
PubChem CID445070
KEGG IDC01126
HMDB IDHMDB0004305
CHEBI ID16619
SWISSLIPIDS IDSLM:000399835
CAYMAN ID13268
InChIKeyCRDAMVZIKSXKFV-YFVJMOTDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
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SMILES
OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
268.93Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.68Molar
Refractivity
72.99