C-Methylcalix[4]resorcinarene
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CAS Number 65338-98-9
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Catalog Number io-406836
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Molecular Weight 544.6000
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SMILES CC1C2=CC(=C(C=C2O)O)C(C3=CC(=C(C=C3O)O)C(C4=C(C=C(C(=C4)C(C5=C(C=C(C1=C5)O)O)C)O)O)C)C
| Size | QTY | Notes | |
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No description available for this item
| 1 | C-Methylcalix[4]resorcinarene |
| 2 | Tetramethylcalix[4]resorcinolarene |
| 3 | 2,8,14,20-Tetramethylcalix[4]resorcinarene |
| 4 | 2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol |
| 5 | C-METHYLCALIX(4)RESORCINARENE |
| Molecular Formula | C32H32O8 |
|---|---|
| Canonical SMILES | CC1C2=CC(=C(C=C2O)O)C(C3=CC(=C(C=C3O)O)C(C4=C(C=C(C(=C4)C(C5=C(C=C(C1=C5)O)O)C)O)O)C)C |
| Isomeric SMILES | CC1C2=CC(=C(C=C2O)O)C(C3=CC(=C(C=C3O)O)C(C4=C(C=C(C(=C4)C(C5=C(C=C(C1=C5)O)O)C)O)O)C)C |
| Molecular Weight | 544.6000 |
| InChIKey | WGDNYTQTRISCMM-UHFFFAOYSA-N |
| InChI | InChI=1S/C32H32O8/c1-13-17-5-19(27(35)9-25(17)33)14(2)21-7-23(31(39)11-29(21)37)16(4)24-8-22(30(38)12-32(24)40)15(3)20-6-18(13)26(34)10-28(20)36/h5-16,33-40H,1-4H3 |
| XLogP | 6.2000 |
| ExactMass | 544.2097 |
| MonoisotopicMass | 544.2097 |
| TPSA | 162.0000 |
| Complexity | 665.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 8 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 40 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 130 |
| PatentFamilyCount | 48 |
| LiteratureCount | 20 |
