1,3-Dioxane-2-acetic acid, 2,5,5-trimethyl-, ethyl ester
Basic information
- CAS
5406-47-3- Standard SMILES
CCOC(=O)CC1(C)OCC(C)(C)CO1- InChIKey
MTNKPBYWJDVJMA-UHFFFAOYSA-N- Molecular formula
- C11H20O4
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.13615911
Names & identifiers
- Preferred name
- 1,3-Dioxane-2-acetic acid, 2,5,5-trimethyl-, ethyl ester
- IUPAC
- ethyl 2-(2,5,5-trimethyl-1,3-dioxan-2-yl)acetate
Names & synonyms
5406-47-31,3-dioxane-2-acetic acid, 2,5,5-trimethyl-, ethyl esterDTXSID60278329RefChem:218832DTXCID10229487Ethyl 2,5,5-Trimethyl-1,3-dioxane-2-acetateethyl (2,5,5-trimethyl-1,3-dioxan-2-yl)acetateNSC7022NSC-7022STK074077AKOS005390337
Database identifiers
- CAS
5406-47-3- PubChem CID
- 221909
- DTXSID
DTXSID60278329
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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