(S)-2-Methylvaleric Acid Methyl Ester - CAS 151409-53-9
Catalog: |
BB059193 |
Product Name: |
(S)-2-Methylvaleric Acid Methyl Ester |
CAS: |
151409-53-9 |
Synonyms: |
(S)-2-Methyl-pentanoic Acid Methyl Ester; (2S)-2-Methyl-pentanoic Acid Methyl Ester |
IUPAC Name: | methyl (2S)-2-methylpentanoate |
Description: | (S)-2-Methylvaleric Acid Methyl Ester is used in the synthetic preparation of esters from Sancassania shanghiensis. (S)-2-Methylvaleric Acid Methyl Ester is also the methyl ester derivative of (S)-2-Methylvaleric Acid (M338520). |
Molecular Weight: | 130.18 |
Molecular Formula: | C7H14O2 |
Canonical SMILES: | CCCC(C)C(=O)OC |
InChI: | InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3/t6-/m0/s1 |
InChI Key: | ZTULNMNIVVMLIU-LURJTMIESA-N |
References: | Sakata, T., et al. Biosci. Biotech. Biochem., 65, 919 (2001). |
Complexity: | 88.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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