Methyl (E)-3-Methylpent-2-enoate - CAS 17447-01-7
Catalog: |
BB059565 |
Product Name: |
Methyl (E)-3-Methylpent-2-enoate |
CAS: |
17447-01-7 |
Synonyms: |
Methyl (E)-3-Methyl-2-pentenoate; trans-3-Methyl-2-pentenoic Acid Methyl Ester; trans-Methyl 3-Methyl-2-pentenoate |
IUPAC Name: | methyl 3-methylpent-2-enoate |
Description: | (E)-Methyl 3-Methylpent-2-enoate is an intermediate in the synthesis of Juvenile Hormone which regulates development, reproduction, diapause, and polyphenisms in insects. |
Molecular Weight: | 128.17 |
Molecular Formula: | C7H12O2 |
Canonical SMILES: | CCC(=CC(=O)OC)C |
InChI: | InChI=1S/C7H12O2/c1-4-6(2)5-7(8)9-3/h5H,4H2,1-3H3 |
InChI Key: | SLQFYMAWZYTVFZ-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethylacetate, Hexanes |
Appearance: | Colorless Oil |
Storage: | -20°C Freezer, Under inert atmosphere |
References: | Riddiford, L. Adv. Insect Physiol., 24, 213 (1994); Wyatt, G., Davey, K. Adv. Insect Physiol., 26, 1 (1996); Nijhout, H. Insect Hormones (Princeton Univ. Press, Princeton) (1994). |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2 |
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