(S)-(+)-5,5'',6,6'',7,7'',8,8''-Octahydro-3,3''-di-t-butyl-1,1''-bi-2-naphthol, dipotassium salt - ≥95%,≥99%(ee) , CAS No.821793-28-6

CAS: 821793-28-6 Cat. No.: S282332 Molecular Weight: 482.8 PubChem CID: 11294638

GRADE & PURITY ≥95%,≥99%(ee)

Synonyms

(R)-3,3'-Di-tert-butyl-5,5',6,6',7,7',8,8'-octahydro-1,1'-(bi-2-naphthol) dipotassium salt, purum, >=95.0% (dry substance, CHN) | DTXSID60461491 | (R)-(-)-5,5',6,6',7,7',8,8'-OCTAHYDRO-3,3'-DI-T-BUTYL-1,1'-BI-2-NAPHTHOL, DIPOTASSIUM SALT | 5,5',6,6',7,7',

Specifications

Synonyms

(R)-3, 3'-Di-tert-butyl-5, 5', 6, 6', 7, 7', 8, 8'-octahydro-1, 1'-(bi-2-naphthol) dipotassium salt, purum, >=95.0% (dry substance, CHN) | DTXSID60461491 | (R)-(-)-5, 5', 6, 6', 7, 7', 8, 8'-OCTAHYDRO-3, 3'-DI-T-BUTYL-1, 1'-BI-2-NAPHTHOL, DIPOTASSIUM SALT | 5, 5', 6, 6', 7, 7',

Specifications & Purity

≥95%, ≥99%(ee)

Purity

≥95%, ≥99%(ee)

Names and Identifiers

• Canonical Smiles: CC(C)(C)C1=C(C(=C2CCCCC2=C1)C3=C4CCCCC4=CC(=C3[O-])C(C)(C)C)[O-].[K+].[K+]
• IUPAC Name: dipotassium;3-tert-butyl-1-(3-tert-butyl-2-oxido-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-olate
• InChIKey: KUFMCCDFHGQYSN-UHFFFAOYSA-L
• INCHI: 1S/C28H38O2.2K/c1-27(2,3)21-15-17-11-7-9-13-19(17)23(25(21)29)24-20-14-10-8-12-18(20)16-22(26(24)30)28(4,5)6;;/h15-16,29-30H,7-14H2,1-6H3;;/q;2*+1/p-2
• Isomeric SMILES: CC(C)(C)C1=C(C(=C2CCCCC2=C1)C3=C4CCCCC4=CC(=C3[O-])C(C)(C)C)[O-].[K+].[K+]
• PubChem CID: 11294638
• Molecular Weight: 482.8

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: Phenoxides Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Phenoxide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Organic cation - 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: moisture sensitive
• Molecular Weight: 482.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 482.199 Da
• Monoisotopic Mass: 482.199 Da
• Topological Polar Surface Area: 46.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 532.000
• 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: 3

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