ChemDB: Chemical Search
Download
Chemical ID: 5045957
Chemical ID:
5045957
Name [?]:
2,3-diacetoxypropyl 2-hydroxy-2-methyl-propanoate
SMILES [?]:
CC(=O)OCC(COC(=O)C(C)(C)O)OC(=O)C
InChi [?]:
InChI=1/C11H18O7/c1-7(12)16-5-9(18-8(2)13)6-17-10(14)11(3,4)15/h9,15H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,12,13,5,7,2,16,6,9,11,3,17,10,14,4,8,15/E:(3,4)/rA:18cCCOOCCCOCOCCCOOCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s9;s11;s11;s11;s6;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18O7 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.30837 |
Area: | 476.851 |
Solvation: | -5.61291 |
Coulombic: | -69.9943 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 262.256 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | -0.06 |
LogP (Chemaxon): | -0.51 |
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 |
---|