ChemDB: Chemical Search
Download
Chemical ID: 6658232
Chemical ID:
6658232
Name [?]:
methyl 3-(2,6-dimethylmorpholin-4-yl)-2-methyl-propanoate
SMILES [?]:
CC1CN(CC(O1)C)CC(C)C(=O)OC
InChi [?]:
InChI=1/C11H21NO3/c1-8(11(13)14-4)5-12-6-9(2)15-10(3)7-12/h8-10H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:11,1,8,15,9,3,5,10,2,6,12,4,13,14,7/E:(2,3)(6,7)(9,10)/rA:15cCCCNCCOCCCCCOOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;s10;s10;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.07482 |
Area: | 409.922 |
Solvation: | -3.17323 |
Coulombic: | -31.322 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.289 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.74 |
LogP (Chemaxon): | 0.96 |
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 |
---|