Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102090010
Common NamePerillyl aldehyde (W)
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 CID16441
KEGG IDC02576
HMDB IDHMDB0003647
CHEBI ID15421
InChIKeyRUMOYJJNUMEFDD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
SMILESC1(C(=C)C)CC=C(C=O)CC1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings1Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
170.07Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.49Molar
Refractivity
46.30