2-Ethyl-5-oxo-hexanoic Acid 1-Methylethyl Ester - CAS 1346599-42-5
Catalog: |
BB065592 |
Product Name: |
2-Ethyl-5-oxo-hexanoic Acid 1-Methylethyl Ester |
CAS: |
1346599-42-5 |
Synonyms: |
ISOPROPYL 2-ETHYL-5-OXOHEXANOATE; propan-2-yl 2-ethyl-5-oxohexanoate |
IUPAC Name: | propan-2-yl 2-ethyl-5-oxohexanoate |
Description: | 2-Ethyl-5-oxo-hexanoic Acid 1-Methylethyl Ester (cas# 1346599-42-5) is a compound useful in organic synthesis. |
Molecular Weight: | 200.27 |
Molecular Formula: | C11H20O3 |
Canonical SMILES: | CCC(CCC(=O)C)C(=O)OC(C)C |
InChI: | InChI=1S/C11H20O3/c1-5-10(7-6-9(4)12)11(13)14-8(2)3/h8,10H,5-7H2,1-4H3 |
InChI Key: | WJFOSFRSGSCPFE-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Clear Colourless to Pale Yellow Oil |
Storage: | 4°C |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.1412445 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.1412445 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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