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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
1
Total Number of Articles : 1
|
| PubChem |
125339
|
| Molecular Formula |
C21H36O12 |
| SMILES |
COC(=O)CCCCC(=O)OC.COC(=O)CCCC(=O)OC.COC(=O)CCC(=O)OC |
| InChI |
InChI=1S/C8H14O4.C7H12O4.C6H10O4/c1-11-7(9)5-3-4-6-8(10)12-2;1-10-6(8)4-3-5-7(9)11-2;1-9-5(7)3-4-6(8)10-2/h3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3 |
| synonyms |
- Dibasic ester
- Estasol
- Pentanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl hexanedioate
- Hexanedioic acid, dimethyl ester, mixt. with dimethyl butandedioate and dimethyl pentanedioate
- Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate
- 937-156-2
- 95481-62-2
- DBE dibasic ester
- RDPE
- dimethyl butanedioate;dimethyl hexanedioate;dimethyl pentanedioate
- SCHEMBL4450294
- QYMFNZIUDRQRSA-UHFFFAOYSA-N
- AS-88570
- dimethyl adipate dimethyl glutarate dimethyl succinate
- dimethyl butanedioate,dimethyl hexanedioate,dimethyl pentanedioate
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| Properties |
| Property |
Value |
| MW |
480.5 g/mol |
| HBD |
0 |
| HBA |
12 |
| Rotatable Bond Count |
18 |
| Exact Mass |
480.22067658 g/mol |
| Monoisotopic Mass |
480.22067658 g/mol |
| Heavy Atom Count |
33 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
3 |
| Complexity |
374 |
| xlogp |
None |
| Topological Polar Surface Area |
158 |
|