Diethyl Sebacate
PubChem CID: 8049
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| Compound Synonyms | DIETHYL SEBACATE, Diethyl decanedioate, 110-40-7, Decanedioic acid, diethyl ester, Ethyl sebacate, Bisoflex DES, Sebacic acid, diethyl ester, Diethyl 1,10-decanedioate, Ethyl sebacate (VAN), Sebacic acid diethyl ester, 1,10-diethyl decanedioate, FEMA No. 2376, Diethyl 1,8-octanedicarboxylate, UNII-I41B9FJK6V, NSC 8911, EINECS 203-764-5, Decanedioic acid, 1,10-diethyl ester, BRN 1790779, DTXSID0021915, AI3-01970, Diethyl sebacate (NF), NSC-8911, DECANEDIOIC ACID,DIETHYL ESTER, MFCD00009219, I41B9FJK6V, DIETHYL SEBACATE [II], DIETHYL SEBACATE [FCC], DTXCID201915, DIETHYL SEBACATE [FHFI], ETHYL SEBACATE [WHO-DD], DIETHYL SEBACATE [USP-RS], 4-02-00-02080 (Beilstein Handbook Reference), DIETHYL SEBACATE (II), DIETHYL SEBACATE (USP-RS), Decanedioic Acid Diethyl Ester, Diethyl sebecate, Sebacinsaurediathylester, Diethyl sebacate, 98%, Diethyl 1,10decanedioate, SCHEMBL33870, WLN: 2OV8VO2, Diethyl 1,8octanedicarboxylate, DIETHYL SEBACATE [INCI], CHEMBL1884461, FEMA 2376, NSC8911, CHEBI:172099, Tox21_301167, Decanedioic acid, 1,10diethyl ester, Diethyl sebacate, analytical standard, STL280489, AKOS015915696, Decanedioic acid 1,10-diethyl ester, NSC 8911, Sebacic acid diethyl ester, CS-W010159, Diethyl sebacate, >=98%, FCC, FG, HY-W009443, SEBACIC ACID DIETHYL ESTER [MI], NCGC00164103-01, NCGC00164103-02, NCGC00255065-01, CAS-110-40-7, DECANEDIOIC ACID 1,10-DIETHYL ESTER, NS00012225, S0024, EN300-83817, D10682, E82985, Q27280379, Diethyl sebacate, United States Pharmacopeia (USP) Reference Standard, 203-764-5 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Description | Flavouring ingredient |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11473 |
| Iupac Name | diethyl decanedioate |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 3.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Molecular Formula | C14H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ONKUXPIBXRRIDU-UHFFFAOYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -3.441 |
| Rotatable Bond Count | 13.0 |
| State | Liquid |
| Logd | 3.251 |
| Synonyms | Bisoflex des, Decanedioic acid, 1,10-diethyl ester, Decanedioic acid, diethyl ester, Decanedioic acid,diethyl ester, Diethyl 1,10-decanedioate, Diethyl 1,8-octanedicarboxylate, Diethyl decanedioate, Diethyl sebacate, Diethyl sebecate, Ethyl sebacate, Ethyl sebacate (van), FEMA 2376, Sebacic acid diethyl ester, Sebacic acid, diethyl ester, Diethyl decanedioic acid, 1,10-Diethyl decanedioic acid |
| Compound Name | Diethyl Sebacate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -2.820319599999999 |
| Inchi | InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3 |
| Smiles | CCOC(=O)CCCCCCCCC(=O)OCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty acid esters |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all