3-(Pentamethyldisiloxanyl)propyl methacrylate - ≥95% , CAS No.18151-85-4

CAS: 18151-85-4 Cat. No.: P1043305 Molecular Weight: 274.507 PubChem CID: 87476

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C
• IUPAC Name: 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylprop-2-enoate
• InChIKey: NWBTXZPDTSKZJU-UHFFFAOYSA-N
• INCHI: 1S/C12H26O3Si2/c1-11(2)12(13)14-9-8-10-17(6,7)15-16(3,4)5/h1,8-10H2,2-7H3
• Isomeric SMILES: CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C
• PubChem CID: 87476
• Molecular Weight: 274.507

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Siloxanes
          • Level6 Disiloxanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Siloxanes
• Direct Parent: Disiloxanes
• Alternative Parents: Trialkylheterosilanes Enoate esters Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Disiloxane - Trialkylheterosilane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterosilane - Organic metalloid salt - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as disiloxanes. These are organosilicon compounds with the general formula H[Si](R)(R')O[Si](H)(R'')R''' (R= organyl, R'-R'''= H or organyl).
• 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

• Boil Point(°C): 120°
• Molecular Weight: 274.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 274.142 Da
• Monoisotopic Mass: 274.142 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 280.000
• 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

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