2,2-Dimethoxypropane
PubChem CID: 6495
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| Compound Synonyms | 2,2-DIMETHOXYPROPANE, 77-76-9, Acetone dimethyl acetal, Propane, 2,2-dimethoxy-, Acetone dimethyl ketal, Acetone, dimethyl acetal, EINECS 201-056-0, NSC 62085, acetone dimethylacetal, DTXSID7026441, AI3-26275, 2,2-dimethoxy-propane, UNII-66P41R0030, NSC-62085, DTXCID006441, 66P41R0030, EC 201-056-0, Acetone-dimethyl acetal, 2,2-Dimethyoxypropane, dimethoxypropan, dimethoxy propane, 2,2-Bis(methyloxy)propane, 2,2-Dimethoxypropane, Acetone Dimethyl Ketal, NSC 62085, 2,2dimethoxypropane, acetone dimethylketal, MFCD00008479, 2,2-dimethoxypropan, 2,2-dimetoxypropane, 2,2 dimethoxypropane, 2.2-dimethoxypropane, Propane,2-dimethoxy-, 2, 2-dimethoxypropan, 2,2 dimethoxy propane, 2,2,-dimethoxypropane, 2,2-di-methoxypropane, 2,2-dimethoxy propane, 2,2-dimethyloxypropane, 2, 2-Dimethoxypropane, Propane, 2,2dimethoxy, 2,2-dimethoxyl propane, 2,2-bis(methyloxy)propane, SCHEMBL49039, CHEMBL3184215, Acetone, dimethyl acetal (8CI), dimethylformaldehyde dimethylacetal, NSC62085, STR01454, Tox21_200627, AKOS000121900, CAS-77-76-9, NCGC00248770-01, NCGC00258181-01, 2,2-Dimethoxypropane, analytical standard, BP-20658, 2,2-Dimethoxypropane, reagent grade, 98%, 2,2-Dimethoxypropane, for GC derivatization, A0057, NS00005196, EN300-29553, 2,2-Dimethoxypropane, purum, >=96.0% (GC), Q4596749, F0001-1976, 201-056-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | COCOC))C)C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 44.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethoxypropane |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.6 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12O2 |
| Inchi Key | HEWZVZIVELJPQZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,2-dimethoxypropane |
| Esol Class | Very soluble |
| Functional Groups | COC(C)(C)OC |
| Compound Name | 2,2-Dimethoxypropane |
| Kingdom | Organic compounds |
| Exact Mass | 104.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 104.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3 |
| Smiles | CC(C)(OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Ketals |
- 1. Outgoing r'ship
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