ChemDB: Chemical Search
Download
Chemical ID: 6668972
Chemical ID:
6668972
Name [?]:
3,5-diethyl-4,6-dimethyl-cyclohex-2-en-1-one
SMILES [?]:
CCC1C(C(=CC(=O)C1C)CC)C
InChi [?]:
InChI=1/C12H20O/c1-5-10-7-12(13)9(4)11(6-2)8(10)3/h7-9,11H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:12,1,13,10,11,2,6,4,9,5,3,7,8/rA:13cCCCCCCCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s3s7;s9;s5;s11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.67785 |
Area: | 360.264 |
Solvation: | -1.32875 |
Coulombic: | -9.91956 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.287 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.78 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|