Diethyl Adipate
PubChem CID: 8844
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | DIETHYL ADIPATE, 141-28-6, Diethyl hexanedioate, Ethyl adipate, Hexanedioic acid, diethyl ester, 1,6-Diethyl hexanedioate, Adipic acid, diethyl ester, Hexanedioic acid, 1,6-diethyl ester, ADIPIC ACID DIETHYL ESTER, Hexanedioic acid, diethyl-, Diethylester kyseliny adipove, Diethylhexanedioic acid, NSC 19160, Ethyl delta-carboethoxyvalerate, HSDB 5413, EINECS 205-477-0, Diethylester kyseliny adipove [Czech], BRN 1780035, AI3-00342, DUB DEA, 7B19K45L6C, NSC-19160, hexanedioic acid diethyl ester, DIETHYL ADIPATE [HSDB], DTXSID2021999, Ethyl .delta.-carboethoxyvalerate, 68201-71-8, WLN: 2OV4VO2, diethyladipate, UNII-7B19K45L6C, MFCD00009215, 1,6Diethyl hexanedioate, Ethyl deltacarboethoxyvalerate, SCHEMBL50610, BIDD:ER0365, DIETHYL ADIPATE [INCI], DTXCID201999, Diethyl adipate, >=99%, FG, CHEBI:34697, NSC3363, NSC-3363, NSC19160, Diethyl adipate, analytical standard, AKOS009031409, DS-5105, Diethyl adipate, ReagentPlus(R), 99%, A0162, NS00042075, EN300-19693, Diethyl adipate, Vetec(TM) reagent grade, 98%, Q27116229, F1905-6995, Z104474764, 205-477-0 |
|---|---|
| Ghose Rule | True |
| 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 monoesters |
| Deep Smiles | CCOC=O)CCCCC=O)OCC |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | diethyl hexanedioate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O4 |
| Inchi Key | VIZORQUEIQEFRT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | diethyl adipate |
| Esol Class | Very soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Diethyl Adipate |
| Exact Mass | 202.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 202.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3 |
| Smiles | CCOC(=O)CCCCC(=O)OCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933