ChemDB: Chemical Search
Download
Chemical ID: 5147817
Chemical ID:
5147817
Name [?]:
1-(8-bicyclo[2.2.2]oct-5-enyl)ethanone
SMILES [?]:
CC(=O)C1CC2CCC1C=C2
InChi [?]:
InChI=1/C10H14O/c1-7(11)10-6-8-2-4-9(10)5-3-8/h2,4,8-10H,3,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,7,10,8,5,2,6,9,4,3/rA:11cCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s9;s6d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.89039 |
Area: | 297.012 |
Solvation: | -1.53492 |
Coulombic: | -8.1245 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 150.218 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.15 |
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 |
---|