Tris(2,4-DI-tert-butylphenyl)phosphate
PubChem CID: 14572930
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| Compound Synonyms | 95906-11-9, tris(2,4-di-tert-butylphenyl)phosphate, Tris(2,4-ditert-butylphenyl)phosphate, tris(2,4-di-tert-butylphenyl) phosphate, Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphate (3:1), tris(2,4-ditert-butylphenyl) phosphate, Phenol, 2,4-bis(1,1-dimethylethyl)-, 1,1',1''-phosphate, F32IRS6B46, ALCANOX 240, DTXSID20893779, tris (2,4-di-tert-butylphenyl) phosphate, D-16834, D-16-834, TRIS(2,4-BIS(2-METHYL-2-PROPANYL)PHENYL) PHOSPHATE, UNII-F32IRS6B46, SCHEMBL82774, 2,4-Bis(1,1-dimethylethyl)phenol 1,1',1''-Phosphate, C42H63O4P, CHEBI:178063, DTXCID501323824, BCP32976, EX-A5041, VDA90611, AAN06119?, GEO-04586, MFCD29918884, MSK160926, tris(2,4-di-t-butylphenyl)phosphate, AKOS027323967, tris(2,4-di-t-butylphenyl) phosphate, HY-136177R, Tris(2,4-di-tert.butylphenyl)phosphate, 1ST160926, DB-257236, HY-136177, MSK160926-1000, CS-0120276, NS00066890, F88504, 1ST160926-1000, Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphate, D 16-834, Tris(2,4-di-tert-butylphenyl)phosphate (Standard), Q27277562, Tris(2,4-di-tert-butylphenyl)phosphate Solution in Toluene, 1000?g/mL, Tris(2,4-di-tert-butylphenyl)phosphate Solution in Toluene, 1000mug/mL |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 47.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 920.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tris(2,4-ditert-butylphenyl) phosphate |
| Prediction Hob | 0.0 |
| Xlogp | 15.0 |
| Molecular Formula | C42H63O4P |
| Prediction Swissadme | 0.0 |
| Inchi Key | AZSKHRTUXHLAHS-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -6.034 |
| Rotatable Bond Count | 12.0 |
| Logd | 7.85 |
| Compound Name | Tris(2,4-DI-tert-butylphenyl)phosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 662.446 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 662.446 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 662.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -12.88530745531915 |
| Inchi | InChI=1S/C42H63O4P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)44-47(43,45-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)46-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3 |
| Smiles | CC(C)(C)C1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients