endo-Tetrahydrodicyclopentadiene - ≥97%(GC) , CAS No.2825-83-4

CAS: 2825-83-4 Cat. No.: E156269 Molecular Weight: 136.24 Beilstein Registry Number: 5164 EC Number: 220-586-3

GRADE & PURITY ≥97%(GC)

Synonyms

endo-Tetrahydrodicyclopentadiene | (1R,2R,6S,7S)-tricyclo[5.2.1.0,2,6]decane | (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decane | AKOS006345728 | (1R,2R,6S,7S)-tricyclo[5.2.1.0,decane | EN300-7367981 | Z1201624510 | (3aR,4R,7S,7aS)-rel-Octahydro-1H-4,7-methanoind

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

endo-Tetrahydrodicyclopentadiene | (1R, 2R, 6S, 7S)-tricyclo[5.2.1.0, 2, 6]decane | (1S, 2S, 6R, 7R)-tricyclo[5.2.1.02, 6]decane | AKOS006345728 | (1R, 2R, 6S, 7S)-tricyclo[5.2.1.0, decane | EN300-7367981 | Z1201624510 | (3aR, 4R, 7S, 7aS)-rel-Octahydro-1H-4, 7-methanoind

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504764884
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764884
• Canonical Smiles: C1CC2C3CCC(C3)C2C1
• IUPAC Name: (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decane
• InChIKey: LPSXSORODABQKT-YNFQOJQRSA-N
• INCHI: 1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9-,10+
• Isomeric SMILES: C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1
• Molecular Weight: 136.24
• Beilstein: 5164
• Reaxy-Rn: 5726014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5726014&ln=

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: Polycyclic hydrocarbons Saturated hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Norbornane monoterpenoid - Monoterpenoid - Polycyclic hydrocarbon - Saturated hydrocarbon - Hydrocarbon - 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: Soluble in Methanol
• Boil Point(°C): 192°C(lit.)
• Melt Point(°C): 75 °C
• Molecular Weight: 136.230 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125 Da
• Monoisotopic Mass: 136.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 134.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1