Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102010010
Common NameNerol (W)
Systematic NameZ-Geraniol
Synonyms(Z)-Geraniol; (Z)-3,7-dimethylocta-2,6-dien-1-ol; Neryl alcohol
Exact Mass
154.1358 (neutral)    Calculate m/z:
FormulaC10H18O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Acyclic monoterpenoids [PR010201]
PubChem CID643820
KEGG IDC09871
HMDB IDHMDB0005812
CHEBI ID29452
CAYMAN ID25774
InChIKeyGLZPCOQZEFWAFX-YFHOEESVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
Click to highlight InChI
SMILES
C(/C)(=C\CO)\CC/C=C(\C)/C
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume		185.07Topological Polar
Surface Area		20.23Hydrogen
Bond Donors		1Hydrogen
Bond Acceptors		1
 logP2.96Molar
Refractivity		50.00