Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102090020
Common NameMenthofuran
Systematic Name-
Synonyms-
Exact Mass
150.1045 (neutral)    Calculate m/z:
FormulaC10H14O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Menthane monoterpenoids [PR010209]
PubChem CID442478
KEGG IDC09868
CHEBI ID50544
InChIKeyYGWKXXYGDYYFJU-SSDOTTSWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
SMILESC12C[C@@H](CCC=1C(=CO2)C)C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings2Aromatic Rings1Rotatable Bonds0
 van der Waals
Molecular Volume
149.45Topological Polar
Surface Area
13.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.71Molar
Refractivity
44.63