2-Butoxytetrahydro-2H-pyran - ≥95% , CAS No.1927-68-0

CAS: 1927-68-0 Cat. No.: B696955 분자식: C₉H₁₈O₂ 분자량: 158.24 PubChem CID: 263176

GRADE & PURITY ≥95%

Synonyms

2-Butoxyoxane

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

동의어

2-Butoxyoxane

사양 및 순도

≥95%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥95%

이름과 식별자

• 정식 스마일: CCCCOC1CCCCO1
• IUPAC Name: 2-butoxyoxane
• InChIKey: HVHNQFALNKRKQY-UHFFFAOYSA-N
• INCHI: 1S/C9H18O2/c1-2-3-7-10-9-6-4-5-8-11-9/h9H,2-8H2,1H3
• 이성체 SMILES: CCCCOC1CCCCO1
• PubChem CID: 263176
• 분자량: 158.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom 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

화학 및 물리적 특성

• 분자량: 158.240 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 158.131 Da
• Monoisotopic Mass: 158.131 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 93.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1