6-hydroxyspiro[2.5]octane-6-carbonitrile - ≥97% , CAS No.2021603-49-4

CAS: 2021603-49-4 Cat. No.: H637885 Molecular Weight: 151.21 PubChem CID: 155293756

GRADE & PURITY ≥97%

Synonyms

6-Hydroxyspiro[2.5]octane-6-carbonitrile | 2021603-49-4 | MFCD32900952 | PB41728 | D96643

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

6-Hydroxyspiro[2.5]octane-6-carbonitrile | 2021603-49-4 | MFCD32900952 | PB41728 | D96643

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC12CCC(CC2)(C#N)O
• IUPAC Name: 6-hydroxyspiro[2.5]octane-6-carbonitrile
• InChIKey: YQOCANGBKOIPAS-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO/c10-7-9(11)5-3-8(1-2-8)4-6-9/h11H,1-6H2
• PubChem CID: 155293756
• Molecular Weight: 151.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Cyclic alcohols and derivatives Cyanohydrins Alpha-hydroxynitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Tertiary alcohol - Cyclic alcohol - Alpha-hydroxynitrile - Cyanohydrin - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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