Methyl trans-2-methyl-2-pentenoate - CAS 1567-14-2
Catalog: |
BB011251 |
Product Name: |
Methyl trans-2-methyl-2-pentenoate |
CAS: |
1567-14-2 |
Synonyms: |
methyl (E)-2-methylpent-2-enoate |
IUPAC Name: | methyl (E)-2-methylpent-2-enoate |
Description: | Methyl trans-2-methyl-2-pentenoate (CAS# 1567-14-2) is an substituent in the synthesis of analogs of Valproic Acid. |
Molecular Weight: | 128.17 |
Molecular Formula: | C7H12O2 |
Canonical SMILES: | CCC=C(C)C(=O)OC |
InChI: | InChI=1S/C7H12O2/c1-4-5-6(2)7(8)9-3/h5H,4H2,1-3H3/b6-5+ |
InChI Key: | SRORRGMOEUTSDV-AATRIKPKSA-N |
Boiling Point: | 46-47 °C / 15 mmHg (lit.) |
Density: | 0.92 g/mL at 25°C(lit.) |
MDL: | MFCD00075270 |
LogP: | 1.51570 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3901125-A1 | Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof | 20200421 |
US-2021323902-A1 | Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof | 20200421 |
WO-2021119137-A1 | Material sciences applications for an oral appliance for delivery of a medicament | 20191211 |
WO-2020254916-A1 | Compositions and foam compositions containing composite particles, articles, composite particles, and methods | 20190618 |
WO-2020212862-A1 | Sanitary material and winding tape | 20190419 |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
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: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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