1,1-Dimethoxypropane
PubChem CID: 20859
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| Compound Synonyms | 1,1-DIMETHOXYPROPANE, Propionaldehyde Dimethyl Acetal, 4744-10-9, Propanal dimethyl acetal, Propane, 1,1-dimethoxy-, 3-Ethyl-2,4-dioxapentane, Propionaldehyde, dimethyl acetal, 1,1--Dimethoxypropane, UIOXNNAWANDJCZ-UHFFFAOYSA-, DTXSID60197142, EINECS 225-258-3, AI3-28233, MFCD00059307, 4VV73VDA7T, SCHEMBL26030, Propanal dimethyl acetal etal, DTXCID70119633, NS00044334, P0782, EN300-98133, D87756, 225-258-3 |
|---|---|
| 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 | CCCOC))OC |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 33.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dimethoxypropane |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12O2 |
| Inchi Key | UIOXNNAWANDJCZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1,1-dimethoxypropane |
| Esol Class | Very soluble |
| Functional Groups | COC(C)OC |
| Compound Name | 1,1-Dimethoxypropane |
| 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 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H12O2/c1-4-5(6-2)7-3/h5H,4H2,1-3H3 |
| Smiles | CCC(OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700131