Ethyl 4-Methyl-2-oxopentanoate - CAS 26073-09-6
Catalog: |
BB019125 |
Product Name: |
Ethyl 4-Methyl-2-oxopentanoate |
CAS: |
26073-09-6 |
Synonyms: |
4-methyl-2-oxopentanoic acid ethyl ester; ethyl 4-methyl-2-oxopentanoate |
IUPAC Name: | ethyl 4-methyl-2-oxopentanoate |
Description: | Ethyl 4-Methyl-2-oxopentanoate (CAS# 26073-09-6) is an intermediate in the synthesis of 4-Methyl-2-oxovaleric Acid-d7 Sodium Salt (M326428). Labelled 4-Methyl-2-oxovaleric Acid, an α-ketomonocarboxylic acid that triggers insulin release by acting upon receptor sites which differ from those occupied by amino acids. 4-Methyl-2-oxovaleric Acid is an intermediate in the metabolism of Leucine. |
Molecular Weight: | 158.19 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | CCOC(=O)C(=O)CC(C)C |
InChI: | InChI=1S/C8H14O3/c1-4-11-8(10)7(9)5-6(2)3/h6H,4-5H2,1-3H3 |
InChI Key: | MGSWAHQQBHNCEI-UHFFFAOYSA-N |
LogP: | 1.16470 |
Publication Number | Title | Priority Date |
US-2017239154-A1 | Pyruvate and related alpha-keto carboxylates as novel adjuvants in the treatment of post tooth whitening sensitivity and the tissue protective effect of pyruvate on the oral soft tissue | 20160223 |
CA-2851801-A1 | Compounds and methods for enhancing innate immune responses | 20111021 |
US-2012329119-A1 | Microorganisms for producing propylene and methods related thereto | 20110622 |
US-8617862-B2 | Microorganisms for producing propylene and methods related thereto | 20110622 |
US-2014127134-A1 | Treatment and prevention of cancer with hmgb1 antagonists | 20110607 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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