Ethyl 2,5,5-Trimethyl-1,3-dioxane-2-acetate - CAS 5406-47-3
Catalog: |
BB065925 |
Product Name: |
Ethyl 2,5,5-Trimethyl-1,3-dioxane-2-acetate |
CAS: |
5406-47-3 |
Synonyms: |
1,3-dioxane-2-acetic acid, 2,5,5-trimethyl-, ethyl ester; ethyl (2,5,5-trimethyl-1,3-dioxan-2-yl)acetate |
IUPAC Name: | ethyl 2-(2,5,5-trimethyl-1,3-dioxan-2-yl)acetate |
Molecular Weight: | 216.28 |
Molecular Formula: | C11H20O4 |
Canonical SMILES: | CCOC(=O)CC1(OCC(CO1)(C)C)C |
InChI: | InChI=1S/C11H20O4/c1-5-13-9(12)6-11(4)14-7-10(2,3)8-15-11/h5-8H2,1-4H3 |
InChI Key: | MTNKPBYWJDVJMA-UHFFFAOYSA-N |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.13615911 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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