Tricyclo[5.2.1.02,6]decan-8-one - ≥95%(GC) , CAS No.13380-94-4

CAS: 13380-94-4 Cat. No.: T161471 Molecular Weight: 150.22 EC Number: 236-458-5 PubChem CID: 96509

GRADE & PURITY ≥95%(GC)

Synonyms

FT-0621557 | MFCD00168034 | Octahydro-4,7-methano-5H-inden-5-one | Corodane | GIE06H28OX | tricyclo[5.2.1.0 (2,6)]decan-8-one | Tricyclo[5.2.1.0(2,6)]decanone-8 | octahydro-5H-4,7-methanoinden-5-one | Tricyclo [5.2.1.02,6] decan-8-one | Tricyclo(5,2,1,0(2

Storage

Room temperature

Shipped In

Normal

Overview

application：

Octahydro-4,7-methano-5H-inden-5-one is a useful synthetic intermediate. It is used as a reagent to synthesize hindered olefins such as diamantanol. It can also be used as a reagent to enhance the glass transition temperature of polymethyl methacrylate (PMMA).

Specifications

Synonyms

FT-0621557 | MFCD00168034 | Octahydro-4, 7-methano-5H-inden-5-one | Corodane | GIE06H28OX | tricyclo[5.2.1.0 (2, 6)]decan-8-one | Tricyclo[5.2.1.0(2, 6)]decanone-8 | octahydro-5H-4, 7-methanoinden-5-one | Tricyclo [5.2.1.02, 6] decan-8-one | Tricyclo(5, 2, 1, 0(2

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488187001
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187001
• Canonical Smiles: C1CC2C(C1)C3CC2CC3=O
• IUPAC Name: tricyclo[5.2.1.02,6]decan-8-one
• InChIKey: OMIDXVJKZCPKEI-UHFFFAOYSA-N
• INCHI: 1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2
• Isomeric SMILES: C1CC2C(C1)C3CC2CC3=O
• RTECS: PC0350000
• PubChem CID: 96509
• Molecular Weight: 150.22
• Reaxy-Rn: 1907967

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Monoterpenoids
• Alternative Parents: Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Norbornane monoterpenoid - Monoterpenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as monoterpenoids. These are compounds containing a chain of two isoprene units.
• 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

• Solubility: Slightly soluble in water
• Refractive Index: 1.50
• Flash Point(°F): 102℃
• Flash Point(°C): 102℃
• Boil Point(°C): 132°C
• Molecular Weight: 150.220 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 150.104 Da
• Monoisotopic Mass: 150.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 209.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1