[exo-7-oxabicyclo[2.2.1]heptan-2-yl]methanol - ≥97% , CAS No.13118-77-9

CAS: 13118-77-9 Cat. No.: H628211 Molecular Weight: 128.17 PubChem CID: 13614303

GRADE & PURITY ≥97%

Synonyms

13118-77-9 | [(1R,2R,4S)-rel-7-oxabicyclo[2.2.1]heptan-2-yl]methanol | [(1S,2R,4R)-7-Oxabicyclo[2.2.1]heptan-2-yl]methanol | [exo-7-Oxabicyclo[2.2.1]heptan-2-yl]methanol | BS-43294 | D79703

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

13118-77-9 | [(1R, 2R, 4S)-rel-7-oxabicyclo[2.2.1]heptan-2-yl]methanol | [(1S, 2R, 4R)-7-Oxabicyclo[2.2.1]heptan-2-yl]methanol | [exo-7-Oxabicyclo[2.2.1]heptan-2-yl]methanol | BS-43294 | D79703

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC2C(CC1O2)CO
• IUPAC Name: [(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanol
• InChIKey: VCNMKDHFISMVQL-QYNIQEEDSA-N
• INCHI: 1S/C7H12O2/c8-4-5-3-6-1-2-7(5)9-6/h5-8H,1-4H2/t5-,6-,7+/m1/s1
• Isomeric SMILES: C1C[C@H]2[C@H](C[C@@H]1O2)CO
• PubChem CID: 13614303
• Molecular Weight: 128.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxolanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxolane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Description: 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