Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000566
Common Name(R)-Sulcatol
Systematic Name6-methylhept-5-en-2-ol
Synonyms-
Exact Mass
128.1201 (neutral)    Calculate m/z:
FormulaC8H16O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
AbbrevFOH 8:1
PubChem CID20745
KEGG IDC07288
HMDB IDHMDB0030030
CHEBI ID15833
InChIKeyOHEFFKYYKJVVOX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
Click to highlight InChI
SMILES
C/C(/C)=C/CCC(C)O
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
153.11Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP2.40Molar
Refractivity
40.86