Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102020001
Common Name2-Methyl-5-isopropylhexa-2Z,5-dienal
Systematic Name2-Methyl-5-isopropylhexa-2Z,5-dienal
Synonyms-
Exact Mass
152.1201 (neutral)    Calculate m/z:
FormulaC10H16O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Irregular acyclic monoterpenoids [PR010202]
PubChem Compound ID (CID)5280680
KEGG IDC04435
CHEBI ID17546
InChIKeyKDMDLRXLBMMBSU-UITAMQMPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5-
SMILESC/C(/C=O)=C/CC(=C)C(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
182.43Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.73Molar
Refractivity
48.42    
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