Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103010008
Common Name(2-cis,6-cis)-farnesol
Systematic Name(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Synonyms(2-cis,6-cis)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(Z,Z)-farnesol;
FARNESOL; cis,cis-farnesol
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 CID1549107
CHEBI ID42680
InChIKeyCRDAMVZIKSXKFV-FBXUGWQNSA-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-
Click to highlight InChI
SMILES
C/C(=C/CO)/CC/C=C(/C)\CC/C=C(\C)/C
Click to highlight SMILES
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