General Information of the Compound
| Compound ID |
CP0335553
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S)-4-methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H22O4
|
||||||||||||||||||
| Molecular Weight |
254.326
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCWLZDVWHQVAJU-NEPJUHHUSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||