Ethyl 1,4-Dioxaspiro[4.5]decane-8-carboxylate - CAS 1489-97-0
Catalog: |
BB010360 |
Product Name: |
Ethyl 1,4-Dioxaspiro[4.5]decane-8-carboxylate |
CAS: |
1489-97-0 |
Synonyms: |
1,4-dioxaspiro[4.5]decane-8-carboxylic acid ethyl ester; ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate |
IUPAC Name: | ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate |
Description: | Used in the preparation of arylcyclohexanones analgesics, metalloproteinase inhibitors, benzimidazole derivatives as therapeutic TRPM8 receptor modulators and aposptosis inducing agents. |
Molecular Weight: | 214.26 |
Molecular Formula: | C11H18O4 |
Canonical SMILES: | CCOC(=O)C1CCC2(CC1)OCCO2 |
InChI: | InChI=1S/C11H18O4/c1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11/h9H,2-8H2,1H3 |
InChI Key: | UXXWGBLTOSRBAY-UHFFFAOYSA-N |
LogP: | 1.48280 |
Publication Number | Title | Priority Date |
WO-2021127333-A1 | Trpml modulators | 20191219 |
WO-2021061823-A1 | Chemical compounds | 20190923 |
WO-2020233512-A1 | Aromatic amine ar and bet targeting protein degradation chimera compound and use | 20190517 |
US-2020347043-A1 | Modulators of the integrated stress pathway | 20190430 |
WO-2020223536-A1 | Substituted cyclolakyls as modulators of the integrated stress pathway | 20190430 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.12050905 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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