4-Methyl-1,3-dioxane
PubChem CID: 14269
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| Compound Synonyms | 4-Methyl-1,3-dioxane, 1120-97-4, 4-Methyl-m-dioxane, 4-METHYLDIOXANE, 1,3-Dioxane, 4-methyl-, m-Dioxane, 4-methyl-, NSC 292, EINECS 214-323-1, BRN 0102735, XCM6KK2C4N, NSC-292, 5-19-01-00054 (Beilstein Handbook Reference), 1,3-Butanediol formal, NSC292, MFCD00006569, UNII-XCM6KK2C4N, 4-methyl-[1,3]dioxane, 1,3-Dioxane,4-methyl-, SCHEMBL339398, DTXSID90871827, AKOS015842743, LS-13074, DB-041040, CS-0181838, M0209, NS00045175, D91290, 214-323-1 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 54.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-1,3-dioxane |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C5H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | INCCMBMMWVKEGJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.483 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.609 |
| Compound Name | 4-Methyl-1,3-dioxane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 102.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8449245999999999 |
| Inchi | InChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3 |
| Smiles | CC1CCOCO1 |
| 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