Allyl 2-Oxocyclohexanecarboxylate - CAS 5453-93-0
Catalog: |
BB028714 |
Product Name: |
Allyl 2-Oxocyclohexanecarboxylate |
CAS: |
5453-93-0 |
Synonyms: |
2-oxo-1-cyclohexanecarboxylic acid prop-2-enyl ester; prop-2-enyl 2-oxocyclohexane-1-carboxylate |
IUPAC Name: | prop-2-enyl 2-oxocyclohexane-1-carboxylate |
Description: | Allyl 2-Oxocyclohexanecarboxylate (CAS# 5453-93-0 ) is a useful research chemical. |
Molecular Weight: | 182.22 |
Molecular Formula: | C10H14O3 |
Canonical SMILES: | C=CCOC(=O)C1CCCCC1=O |
InChI: | InChI=1S/C10H14O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2,8H,1,3-7H2 |
InChI Key: | MDTZVBVAVFIMBP-UHFFFAOYSA-N |
Boiling Point: | 278.5 °C at 760 mmHg |
Density: | 1.08 g/cm3 |
LogP: | 1.47490 |
Publication Number | Title | Priority Date |
US-2019270700-A1 | Methods and compositions for terpenoid synthesis | 20160915 |
US-2016176773-A1 | ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION | 20141218 |
US-2020157020-A1 | Enantioselective synthesis of alpha-quaternary mannich adducts by palladium-catalyzed allylic alkylation | 20141218 |
EP-0638552-A1 | Process for synthesizing 4-substituted azetidinone derivative | 19930212 |
EP-0638552-B1 | Process for synthesizing 4-substituted azetidinone derivative | 19930212 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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