3,7-dioxabicyclo[4.1.0]heptane - ≥97% , CAS No.286-22-6

CAS: 286-22-6 Cat. No.: D176007 Peso molecular: 100.117 Número EC: 872-561-7

GRADE & PURITY ≥97%

Synonyms

SY098970 | DTXSID30475944 | MFCD11226853 | (1SR,6RS)-3,7-dioxabicyclo[4.1.0]heptane | A903461 | P11116 | AKOS005260020 | AMY11235 | BS-12726 | EN300-68902 | 4,7-dioxabicyclo[4.1.0]heptane | 3,4-epoxytetrahydropyran | SCHEMBL1313014 | Z440605384 | XGDSKVZB

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY098970 | DTXSID30475944 | MFCD11226853 | (1SR, 6RS)-3, 7-dioxabicyclo[4.1.0]heptane | A903461 | P11116 | AKOS005260020 | AMY11235 | BS-12726 | EN300-68902 | 4, 7-dioxabicyclo[4.1.0]heptane | 3, 4-epoxytetrahydropyran | SCHEMBL1313014 | Z440605384 | XGDSKVZB

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1COCC2C1O2
• IUPAC Name: 3,7-dioxabicyclo[4.1.0]heptane
• InChIKey: XGDSKVZBNGTARC-UHFFFAOYSA-N
• INCHI: 1S/C5H8O2/c1-2-6-3-5-4(1)7-5/h4-5H,1-3H2
• Isómeros SMILES: C1COCC2C1O2
• Peso molecular: 100.117
• Reaxy-Rn: 1156
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1156&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxepanes
      • Subclass 1,4-dioxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxepanes
• Subclass: 1,4-dioxepanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxepanes
• Alternative Parents: Oxanes Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: 1,4-dioxepane - Oxane - Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively.
• 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

Propiedades químicas y físicas

• Peso molecular: 100.120 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 82.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1