2-Oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl Methacrylate - ≥98%(GC) , CAS No.254900-07-7

CAS: 254900-07-7 Cat. No.: O404835 Molecular Weight: 222.24 EC Number: 835-616-6

GRADE & PURITY ≥98%(GC)

Synonyms

AMY11186 | SCHEMBL47307 | (5-Oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate | D91883 | SY247851 | 5-Methacroyloxy-2,6-norbornane carbolactone | 2-Oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-ylMethacrylate | DTXSID201347029 | 5-oxo-4-ox

Storage

Room temperature

Specifications

Synonyms

AMY11186 | SCHEMBL47307 | (5-Oxo-4-oxatricyclo[4.2.1.03, 7]nonan-2-yl) 2-methylprop-2-enoate | D91883 | SY247851 | 5-Methacroyloxy-2, 6-norbornane carbolactone | 2-Oxohexahydro-2H-3, 5-methanocyclopenta[b]furan-6-ylMethacrylate | DTXSID201347029 | 5-oxo-4-ox

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488200032
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200032
• Canonical Smiles: CC(=C)C(=O)OC1C2CC3C1OC(=O)C3C2
• IUPAC Name: (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate
• InChIKey: JJMQLQLMPJLIPZ-UHFFFAOYSA-N
• INCHI: 1S/C12H14O4/c1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9/h6-10H,1,3-4H2,2H3
• Isomeric SMILES: CC(=C)C(=O)OC1C2CC3C1OC(=O)C3C2
• Molecular Weight: 222.24
• Reaxy-Rn: 11334957
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11334957&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene lactones
• Alternative Parents: Monoterpenoids Oxepanes Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Enoate esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Terpene lactone - Monoterpenoid - Norbornane monoterpenoid - Caprolactone - Oxepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - Enoate ester - Oxolane - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 102 °C
• Molecular Weight: 222.240 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.089 Da
• Monoisotopic Mass: 222.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 386.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1