Di-tert-butyl phthalate
PubChem CID: 121712
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| Compound Synonyms | Di-tert-butyl phthalate, 30448-43-2, ditert-butyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) ester, Ditertbutyl phthalate, EINECS 250-204-0, Di-tert-butylphthalate, Di-(terc-butilperoxi)ftalato, SCHEMBL109178, Diperoxyphtalate de tert-butyle, DTXSID10184527, RYCNBIYTZSGSPI-UHFFFAOYSA-N, EINECS 218-454-5, 1,2-DI-TERT-BUTYL PHTHALATE, Di-(terc-butilperoxi)ftalato [Spanish], FF-0087, Diperoxyphtalate de tert-butyle [French], Diperoxyphthalic acid, di-tert-butyl ester, CS-0160292, NS00020632, 1,2-di-tert-butyl benzene-1,2-dicarboxylate, Y13569 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ditert-butyl benzene-1,2-dicarboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C16H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RYCNBIYTZSGSPI-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.861 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.228 |
| Compound Name | Di-tert-butyl phthalate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 278.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 278.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6408576 |
| Inchi | InChI=1S/C16H22O4/c1-15(2,3)19-13(17)11-9-7-8-10-12(11)14(18)20-16(4,5)6/h7-10H,1-6H3 |
| Smiles | CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients