Ldl-IN-3 , CAS No.180908-67-2

CAS: 180908-67-2 Cat. No.: L1247692 Molecular Weight: 400.6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC[Si](C)(C)C2=CC=C(C=C2)OC
• IUPAC Name: 2,6-ditert-butyl-4-[[(4-methoxyphenyl)-dimethylsilyl]methoxy]phenol
• InChIKey: PJKUTMONJXDZNR-UHFFFAOYSA-N
• INCHI: 1S/C24H36O3Si/c1-23(2,3)20-14-18(15-21(22(20)25)24(4,5)6)27-16-28(8,9)19-12-10-17(26-7)11-13-19/h10-15,25H,16H2,1-9H3
• Molecular Weight: 400.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Phenylpropanes Phenoxy compounds Methoxybenzenes Anisoles Alkylarylsilanes Alkyl aryl ethers Organic metalloid salts Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Alkylarylsilane - Monocyclic benzene moiety - Organic metalloid salt - Ether - Organooxygen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxygen compound - Organosilicon compound - Alkylsilane - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
• 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

• Molecular Weight: 400.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 400.243 Da
• Monoisotopic Mass: 400.243 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 459.000
• 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

XLogP3