Diethylene glycol dibutyl ether
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CAS Number 112-73-2
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Catalog Number io-58582
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Classification Ethers
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Molecular Weight 218.3300
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SMILES CCCCOCCOCCOCCCC
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | DIETHYLENE GLYCOL DIBUTYL ETHER |
| 2 | 1-(2-(2-Butoxyethoxy)ethoxy)butane |
| 3 | Bis(2-butoxyethyl) ether |
| 4 | Bis(2-butoxyethyl)ether |
| 5 | Dibutyl carbitol |
| Molecular Formula | C12H26O3 |
|---|---|
| Canonical SMILES | CCCCOCCOCCOCCCC |
| Isomeric SMILES | CCCCOCCOCCOCCCC |
| Molecular Weight | 218.3300 |
| InChIKey | KZVBBTZJMSWGTK-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3 |
| XLogP | 1.9000 |
| ExactMass | 218.1882 |
| MonoisotopicMass | 218.1882 |
| TPSA | 27.7000 |
| Complexity | 95.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 12 |
| HeavyAtomCount | 15 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 42135 |
| PatentFamilyCount | 17087 |
| LiteratureCount | 74 |
