Bis(2-ethylhexyl) sebacate
PubChem CID: 31218
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| Compound Synonyms | BIS(2-ETHYLHEXYL) SEBACATE, 122-62-3, Bis(2-ethylhexyl) decanedioate, Bis(2-ethylhexyl)sebacate, Bisoflex, Di(2-ethylhexyl) sebacate, Plexol, Decanedioic acid, bis(2-ethylhexyl) ester, Bisoflex DOS, Edenol 888, Monoplex DOS, Octoil S, Reolube DOS, Staflex DOS, diethylhexyl sebacate, Sebacic acid, bis(2-ethylhexyl) ester, Uniflex dos, 2-Ethylhexyl sebacate, Plexol 201J, Sansocizer DOS, Ergoplast SDO, Reomol DDS, Edenor DEHS, Di-2-ethylhexyl sebacate, Di(2-ethylhexyl)sebacate, PX 438, Sebacic acid bis(2-ethylhexyl) ester, Bis(ethylhexyl) sebacate, 1-Hexanol, 2-ethyl-, sebacate, NSC 68878, BEHS, DOS, Bis-(2-ethylhexyl)ester kyseliny sebakove, U9LS47Q72Q, DTXSID7025055, Decanedioic acid, 1,10-bis(2-ethylhexyl) ester, NSC-68878, 1,10-bis(2-ethylhexyl) decanedioate, 29590-28-1, USAF KE-2, Di-2-ethylhexyl isosebacate, CCRIS 6191, HSDB 2898, EINECS 204-558-8, MFCD00009497, Sebacic acid, di-2-ethylhexyl diester, Isosebacic acid, di-2-ethylhexyl ester, BRN 1806504, UNII-U9LS47Q72Q, Bis(2-ethylhexyl)decanedioate, AI3-09124, Sebacic acid, bis(2-ethylhexyl)ester, 1-Hexanol, sebacate, HALLSTAR DOS, Dioctyl sebacate 99%, DUB DOS, bis(2_ethylhexyl)sebacate, EC 204-558-8, SCHEMBL37169, 4-02-00-02083 (Beilstein Handbook Reference), HATCOL 5110, DTXCID005055, AEC DIETHYLHEXYL SEBACATE, CHEMBL3187356, Bis(2-ethylhexyl) sebacate (DOS), C26H50O4, NSC68878, Tox21_303439, (+/-)-DIETHYLHEXYL SEBACATE, MSK002109, AKOS015903925, AT25397, FB34371, DIETHYLHEXYL SEBACATE, (+/-)-, BIS(2-ETHYLHEXYL) SEBACATE [MI], decanedioic acid bis(2-ethylhexyl) ester, decanedioic acid bis(2_ethylhexyl) ester, NCGC00257416-01, CAS-122-62-3, LS-15168, BIS(2-ETHYLHEXYL) SEBACATE [HSDB], 1ST002109, DB-041675, MSK002109-1000, CS-0152375, NS00013580, S0025, WLN: 4Y2 & 1OV8VO1Y4 & 2, SEBACIC ACID BIS (2_ETHYLHEXYL) ESTER, Bis(2-ethylhexyl) sebacate, >=97.0% (GC), 1ST002109-1000, Bis(2-ethylhexyl) sebacate, technical grade, 90%, Decanedioic acid, 1,10-bis (2-ethylhexyl) ester, Q4387284, Bis(2-ethylhexyl) sebacate, Selectophore(TM), >=97.0%, Bis(2-ethylhexyl)sebacate Solution in Hexane, 1000?g/mL, Bis(2-ethylhexyl)sebacate Solution in Hexane, 1000mug/mL, Di(2-ethylhexyl) sebacate, Dioctyl' sebacate, Sebacic acid di(2-ethylhexyl) ester |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax diesters |
| Deep Smiles | CCCCCCOC=O)CCCCCCCCC=O)OCCCCCC))))CC)))))))))))))))))CC |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 370.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bis(2-ethylhexyl) decanedioate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H50O4 |
| Inchi Key | VJHINFRRDQUWOJ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 23.0 |
| Synonyms | bis(2-ethylhexyl)sebacate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Bis(2-ethylhexyl) sebacate |
| Exact Mass | 426.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.371 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 426.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3 |
| Smiles | CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Aquatica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698051