ChemDB: Chemical Search
Download
Chemical ID: 4214688
Chemical ID:
4214688
Name [?]:
2-hexanoylcyclohexan-1-one
SMILES [?]:
CCCCCC(=O)C1CCCCC1=O
InChi [?]:
InChI=1/C12H20O2/c1-2-3-4-8-11(13)10-7-5-6-9-12(10)14/h10H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,10,11,9,5,12,8,6,13,7,14/rA:14cCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.89741 |
Area: | 395.702 |
Solvation: | -2.99514 |
Coulombic: | -14.2883 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 196.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.31 |
LogP (Chemaxon): | 3.69 |
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 |
---|