ChemDB: Chemical Search
Download
Chemical ID: 5139056
Chemical ID:
5139056
Name [?]:
None
SMILES [?]:
CCOC(=O)C(=C(C(=O)OCC)C(=O)OCC)C
InChi [?]:
InChI=1/C12H18O6/c1-5-16-10(13)8(4)9(11(14)17-6-2)12(15)18-7-3/h5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,12,17,18,2,11,16,6,7,4,8,13,5,9,14,3,10,15/E:(2,3)(6,7)(11,12)(14,15)(17,18)/rA:18nCCOCOCCCOOCCCOOCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s8;s10;s11;s7;d13;s13;s15;s16;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18O6 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65065 |
Area: | 477.023 |
Solvation: | -3.27492 |
Coulombic: | -56.2847 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 258.268 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.07 |
LogP (Chemaxon): | 0.95 |
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 |
---|