Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102100001
Common Name-
Systematic Name4-acetyl-1 ,4-dimethyl-1-cyclohexene
Synonyms1-(1,4-dimethylcyclohex-3-enyl)ethanone
Exact Mass
152.1201 (neutral)    Calculate m/z:
FormulaC10H16O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Other cyclohexane monoterpenoids [PR010210]
PubChem CID65289
HMDB IDHMDB0037024
InChIKeyBIUSXTISNNLMOR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3
SMILESC1C(C)=CCC(C(=O)C)(C)C1
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
172.71Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.71Molar
Refractivity
46.40