Ethyl 5,5-Dimethyl-2-oxocyclohexanecarboxylate - CAS 64229-88-5
Catalog: |
BB032409 |
Product Name: |
Ethyl 5,5-Dimethyl-2-oxocyclohexanecarboxylate |
CAS: |
64229-88-5 |
Synonyms: |
5,5-dimethyl-2-oxo-1-cyclohexanecarboxylic acid ethyl ester; ethyl 5,5-dimethyl-2-oxocyclohexane-1-carboxylate |
IUPAC Name: | ethyl 5,5-dimethyl-2-oxocyclohexane-1-carboxylate |
Description: | Ethyl 5,5-Dimethyl-2-oxocyclohexanecarboxylate (CAS# 64229-88-5) is a useful research chemical. |
Molecular Weight: | 198.26 |
Molecular Formula: | C11H18O3 |
Canonical SMILES: | CCOC(=O)C1CC(CCC1=O)(C)C |
InChI: | InChI=1S/C11H18O3/c1-4-14-10(13)8-7-11(2,3)6-5-9(8)12/h8H,4-7H2,1-3H3 |
InChI Key: | YFWUTWTUCSYNIQ-UHFFFAOYSA-N |
LogP: | 1.94490 |
Publication Number | Title | Priority Date |
AU-2010205825-A1 | Oxadiazole derivatives as SLPL receptor agonists | 20090119 |
CA-2748394-A1 | Oxadiazole derivatives as s1p1 receptor agonists | 20090119 |
EP-2210890-A1 | Oxadiazole derivatives as S1P1 receptor agonists | 20090119 |
JP-2012515182-A | Oxadiazole derivatives as S1P1 receptor agonists | 20090119 |
KR-20110110198-A | Oxadiazole Derivatives as SLPL Receptor Agonists | 20090119 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.125594432 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.125594432 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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