6,7-Dimethoxy-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene - ≥98% , CAS No.22825-00-9

CAS: 22825-00-9 Cat. No.: D281716 Molecular Weight: 248.36

GRADE & PURITY ≥98%

Synonyms

6,7-dimethoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene | SCHEMBL15348324 | PPLDTYXVLXUVSR-UHFFFAOYSA-N | 1,2,3,4-tetrahydro-6,7-dimethoxy-1,1,4,4-tetramethylnaphthalene | 6,7-dimethoxy-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene | 6,7-Dimethoxy-1,

Storage

Room temperature

Specifications

Synonyms

6, 7-dimethoxy-1, 1, 4, 4-tetramethyl-2, 3-dihydronaphthalene | SCHEMBL15348324 | PPLDTYXVLXUVSR-UHFFFAOYSA-N | 1, 2, 3, 4-tetrahydro-6, 7-dimethoxy-1, 1, 4, 4-tetramethylnaphthalene | 6, 7-dimethoxy-1, 1, 4, 4-tetramethyl-1, 2, 3, 4-tetrahydronaphthalene | 6, 7-Dimethoxy-1,

Specifications & Purity

≥98%

Legal Information

U.S. Patent: 13/457, 239.

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1(CCC(C2=CC(=C(C=C21)OC)OC)(C)C)C
• IUPAC Name: 6,7-dimethoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
• InChIKey: PPLDTYXVLXUVSR-UHFFFAOYSA-N
• INCHI: 1S/C16H24O2/c1-15(2)7-8-16(3,4)12-10-14(18-6)13(17-5)9-11(12)15/h9-10H,7-8H2,1-6H3
• Isomeric SMILES: CC1(CCC(C2=CC(=C(C=C21)OC)OC)(C)C)C
• Molecular Weight: 248.36
• Reaxy-Rn: 2119804
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2119804&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Chemical and Physical Properties

• Sensitivity: air sensitive, moisture sensitive
• Molecular Weight: 248.360 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 248.178 Da
• Monoisotopic Mass: 248.178 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 265.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1