20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
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CAS Number 219-682-8
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Catalog Number io-406843
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Molecular Weight 514.7000
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SMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCO
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| 1 | 20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol |
| 2 | EINECS 219-682-8 |
| 3 | 20-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]-3,6,9,12,15,18-hexaoxaicosan-1-ol |
| 4 | Triton(TM) X-114 |
| 5 | 2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| Molecular Formula | C28H50O8 |
|---|---|
| Canonical SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCO |
| Isomeric SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCO |
| Molecular Weight | 514.7000 |
| InChIKey | HNLXNOZHXNSSPN-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H50O8/c1-27(2,3)24-28(4,5)25-6-8-26(9-7-25)36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29/h6-9,29H,10-24H2,1-5H3 |
| XLogP | 3.7000 |
| ExactMass | 514.3506 |
| MonoisotopicMass | 514.3506 |
| TPSA | 84.8000 |
| Complexity | 486.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 24 |
| HeavyAtomCount | 36 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 13316 |
| PatentFamilyCount | 3055 |
| LiteratureCount | 4 |
