Dibutyl 2,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,3-dicarboxylate
PubChem CID: 163028625
Connections displayed (default: 10).
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| Topological Polar Surface Area | 134.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 601.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dibutyl 2,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,3-dicarboxylate |
| Prediction Hob | 0.0 |
| Xlogp | 4.3 |
| Molecular Formula | C26H32O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DMTGQBVTAJAQDC-UHFFFAOYSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -4.099 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.565 |
| Compound Name | Dibutyl 2,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,3-dicarboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 472.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 472.21 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 472.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.941587270588237 |
| Inchi | InChI=1S/C26H32O8/c1-3-5-11-33-25(31)23-21(15-7-9-17(27)19(29)13-15)24(26(32)34-12-6-4-2)22(23)16-8-10-18(28)20(30)14-16/h7-10,13-14,21-24,27-30H,3-6,11-12H2,1-2H3 |
| Smiles | CCCCOC(=O)C1C(C(C1C2=CC(=C(C=C2)O)O)C(=O)OCCCC)C3=CC(=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Virola Surinamensis (Plant) Rel Props:Source_db:cmaup_ingredients