Structure Database (LMSD)
Systematic Name
4-acetyl-1 ,4-dimethyl-1-cyclohexene
Synonyms
- 1-(1,4-dimethylcyclohex-3-enyl)ethanone
No other lipid differing only in stereochemistry/bond geometry found
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
BIUSXTISNNLMOR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3
SMILES (Click to copy)
C1C(C)=CCC(C(=O)C)(C)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
172.71
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.71
Molar Refractivity
46.40
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Created at
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Updated at
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