ChemDB: Chemical Search
Download
Chemical ID: 6680656
Chemical ID:
6680656
Name [?]:
diethyl 2-methylpropanedioate
SMILES [?]:
CCOC(=O)C(C)C(=O)OCC
InChi [?]:
InChI=1/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,7,2,11,6,4,8,5,9,3,10/E:(1,2)(4,5)(7,8)(9,10)(11,12)/rA:12nCCOCOCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s6;d8;s8;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14O4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.17018 |
Area: | 362.998 |
Solvation: | -2.90477 |
Coulombic: | -35.4121 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 174.194 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.0 |
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 |
---|