1,3-Dioxolane, 2-methoxymethyl-2,4,5-trimethyl-
PubChem CID: 539101
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| Compound Synonyms | 1,3-Dioxolane, 2-methoxymethyl-2,4,5-trimethyl-, ODZZTCWWJGRJNQ-UHFFFAOYSA-N, 2-methoxymethyl-2,4,5-trimethyl-1,3-dioxolane, 2-(Methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane # |
|---|---|
| Topological Polar Surface Area | 27.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C8H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ODZZTCWWJGRJNQ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.673 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.726 |
| Compound Name | 1,3-Dioxolane, 2-methoxymethyl-2,4,5-trimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 160.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 160.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1864206 |
| Inchi | InChI=1S/C8H16O3/c1-6-7(2)11-8(3,10-6)5-9-4/h6-7H,5H2,1-4H3 |
| Smiles | CC1C(OC(O1)(C)COC)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients