2-Ethyl-2,4,5-trimethyl-1,3-dioxolane
PubChem CID: 221881
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Ethyl-2,4,5-trimethyl-1,3-dioxolane, 4359-51-7, DTXSID00278303, NSC6985, SCHEMBL10045672, DTXCID50229461, ZRKDAOBWBAZESR-UHFFFAOYSA-N, NSC-6985, 2,4,5-trimethyl-2-ethyl-1,3-dioxolane, 1,3-Dioxolane, 2-ethyl-2,4,5-trimethyl-, 2-Ethyl-2,4,5-trimethyl-1,3-dioxolane # |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethyl-2,4,5-trimethyl-1,3-dioxolane |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C8H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZRKDAOBWBAZESR-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.461 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.243 |
| Compound Name | 2-Ethyl-2,4,5-trimethyl-1,3-dioxolane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 144.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8084267999999997 |
| Inchi | InChI=1S/C8H16O2/c1-5-8(4)9-6(2)7(3)10-8/h6-7H,5H2,1-4H3 |
| Smiles | CCC1(OC(C(O1)C)C)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