Dodecahydrodibenzofuran - ≥98% , CAS No.13054-98-3

CAS: 13054-98-3 Cat. No.: D302343 Formula: C₁₂H₂₀O Peso molecolare: 180.29

GRADE & PURITY ≥98%

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1CCC2C(C1)C3CCCCC3O2

IUPAC Name

1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran

InChIKey

XTDNMGZRUWMVLT-UHFFFAOYSA-N

INCHI

1S/C12H20O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h9-12H,1-8H2

Isomeri SMILES

C1CCC2C(C1)C3CCCCC3O2

Peso molecolare

180.29

Reaxy-Rn

108008

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108008&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxolanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxolane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.5
• Punto di infiammabilità (°C): 84 °C
• Punto di ebollizione (°C): 259°C(lit.)
• Peso molecolare: 180.290 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 180.151 Da
• Monoisotopic Mass: 180.151 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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