Diisobutyl Succinate
PubChem CID: 70214
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| Compound Synonyms | Diisobutyl succinate, 925-06-4, Butanedioic acid, bis(2-methylpropyl) ester, bis(2-methylpropyl) butanedioate, Succinic acid, diisobutyl ester, UNII-1241X4J800, EINECS 213-113-7, Butanedioic acid, 1,4-bis(2-methylpropyl) ester, AI3-05515, 1241X4J800, DTXSID2052734, Butanedioic acid, di-(2-methylpropyl) ester, 1,4-BIS(2-METHYLPROPYL) BUTANEDIOATE, SCHEMBL334176, DTXCID1031335, DIISOBUTYL SUCCINATE [INCI], butanedioic acid bis-(2-methylpropyl) ester, NS00019478, G14695, Q27251367, 213-113-7 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 197.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bis(2-methylpropyl) butanedioate |
| Prediction Hob | 0.0 |
| Xlogp | 3.1 |
| Molecular Formula | C12H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QCOAPBRVQHMEPF-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.477 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.739 |
| Compound Name | Diisobutyl Succinate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 230.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6457847999999995 |
| Inchi | InChI=1S/C12H22O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h9-10H,5-8H2,1-4H3 |
| Smiles | CC(C)COC(=O)CCC(=O)OCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients