1,1-Dimethoxyethane
PubChem CID: 10795
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,1-DIMETHOXYETHANE, 534-15-6, Dimethyl acetal, Acetaldehyde dimethyl acetal, Dimethylacetal, Ethane, 1,1-dimethoxy-, Dimethyl aldehyde, Ethylidene dimethyl ether, Methyl formyl, Acetaldehyde methyl acetal, 3-Methyl-2,4-dioxapentane, Acetaldehyde, dimethyl acetal, FEMA No. 3426, dimethoxy-ethane, HSDB 5427, ZO2AW8UR5T, EINECS 208-589-8, UN2377, BRN 1697039, DTXSID7027178, AI3-24137, 1,1-Dimethoxy-Ethane, acetaldehyde dimethyl acetal-d10, MFCD00008493, 1219798-83-0, DIMETHYLACETAL [MI], CH3CH(OCH3)2, AcetaldehydeDimethylAcetal-d10, DTXCID207178, DIMETHOXYETHANE, 1,1-, 1,1-DIMETHOXYETHANE [FHFI], 1,1-DIMETHOXYETHANE [HSDB], 25154-53-4, Ethane, dimethoxy-, UNII-ZO2AW8UR5T, dimethoxylethane, dimethyoxyethane, dimethyloxyethane, 2-dimethoxyethane, Acetaldehyde, dimethyl acetal (6CI,8CI), 3-Methyl-2,4-dioxapentane, Acetaldehyde methyl acetal, Dimethyl acetal, Ethylidene dimethyl ether, 2,2-dimethoxyethane, 2,2-dimethoxy ethane, 1,1'-Dimethoxyetiane, Ethane, 1,1dimethoxy, 3Methyl2,4dioxapentane, acetaldehyde dimethylacetal, acetaldehyde-dimethylacetal, 1,1-Dimethoxyethane, 9CI, 1,1-Dimethoxyethane [UN2377] [Flammable liquid], CHEMBL3183607, FEMA 3426, CHEBI:178404, Acetaldehyde dimethyl acetal, 95%, Tox21_200713, 1,1-Dimethoxyethane, >=97%, FG, AKOS000269040, UN 2377, NCGC00248807-01, NCGC00258267-01, CAS-534-15-6, FD166483, D0633, NS00021194, D89692, EN300-100625, 1,1-Dimethoxyethane [UN2377] [Flammable liquid], Q27295796, 208-589-8 |
|---|---|
| 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 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavouring ingredient. 1,1-Dimethoxyethane is found in fig. |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 24.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dimethoxyethane |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.5 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H10O2 |
| Inchi Key | SPEUIVXLLWOEMJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Synonyms | 1,1-Dimethoxy-ethane, 1,1-Dimethoxyethane [UN2377] [Flammable liquid], 1,1-Dimethoxyethane, 9CI, 1,1'-Dimethoxyetiane, 3-Methyl-2,4-dioxapentane, Acetaldehyde dimethyl acetal, Acetaldehyde methyl acetal, Acetaldehyde, dimethyl acetal, CH3CH(OCH3)2, Dimethoxy-ethane, Dimethoxyethane, Dimethyl acetal, Dimethyl aldehyde, Dimethylacetal, Ethane, 1,1-dimethoxy-, Ethane, dimethoxy-, Ethylidene dimethyl ether, FEMA 3426, Methyl formyl, 1,1-Dimethoxyethane, 9ci, 1,1-dimethoxyethane, 1,2-dimethylether, dimethyl acetal |
| Esol Class | Very soluble |
| Functional Groups | COC(C)OC |
| Compound Name | 1,1-Dimethoxyethane |
| Kingdom | Organic compounds |
| Exact Mass | 90.0681 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 90.0681 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 90.12 |
| 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/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3 |
| Smiles | CC(OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acetals |
- 1. Outgoing r'ship
FOUND_INto/from Bombax Ceiba (Plant) Rel Props:Reference:ISBN:9788171360536 - 2. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Scaevola Frutescens (Plant) Rel Props:Reference:ISBN:9780387706375