Ethyl 1,4-Dioxaspiro[4.5]decane-8-acetate - CAS 62141-26-8
Catalog: |
BB031434 |
Product Name: |
Ethyl 1,4-Dioxaspiro[4.5]decane-8-acetate |
CAS: |
62141-26-8 |
Synonyms: |
2-(1,4-dioxaspiro[4.5]decan-8-yl)acetic acid ethyl ester; ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate |
IUPAC Name: | ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate |
Description: | Ethyl 1,4-Dioxaspiro[4.5]decane-8-acetate (CAS# 62141-26-8) is a useful research chemical. |
Molecular Weight: | 228.28 |
Molecular Formula: | C12H20O4 |
Canonical SMILES: | CCOC(=O)CC1CCC2(CC1)OCCO2 |
InChI: | InChI=1S/C12H20O4/c1-2-14-11(13)9-10-3-5-12(6-4-10)15-7-8-16-12/h10H,2-9H2,1H3 |
InChI Key: | MFGQIZPUMIISPR-UHFFFAOYSA-N |
LogP: | 1.87290 |
Publication Number | Title | Priority Date |
WO-2019196780-A1 | Novel indoleamine 2,3-dioxygenase inhibitor, preparation method therefor, and use thereof | 20180409 |
WO-2019168866-A1 | Substituted cyclohexyl compounds as nop inhibitors | 20180228 |
AU-2019229188-A1 | Substituted cyclohexyl compounds as NOP inhibitors | 20180228 |
EP-3759085-A1 | Substituted cyclohexyl compounds as nop inhibitors | 20180228 |
KR-20200140810-A | Substituted cyclohexyl compounds as NOP inhibitors | 20180228 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.13615911 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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