4-[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]butanoic acid - ≥97% , CAS No.3353-68-2

CAS: 3353-68-2 Cat. No.: C192804 Molecular Weight: 306.50

GRADE & PURITY ≥97%

Synonyms

Butanoic acid, 4,4'-(1,1,3,3-tetramethyl-1,3-disiloxanediyl)bis- | 4,4'-(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dibutanoicacid | S01300 | C12H26O5Si2 | 1,3-Bis-(3-carboxypropyl)tetramethyldisiloxane | 1,3-Bis(3-carboxypropyl)tetramethyldisiloxane | SCHEMB

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Butanoic acid, 4, 4'-(1, 1, 3, 3-tetramethyl-1, 3-disiloxanediyl)bis- | 4, 4'-(1, 1, 3, 3-tetramethyldisiloxane-1, 3-diyl)dibutanoicacid | S01300 | C12H26O5Si2 | 1, 3-Bis-(3-carboxypropyl)tetramethyldisiloxane | 1, 3-Bis(3-carboxypropyl)tetramethyldisiloxane | SCHEMB

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[Si](C)(CCCC(=O)O)O[Si](C)(C)CCCC(=O)O
• IUPAC Name: 4-[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]butanoic acid
• InChIKey: DNNFJTRYBMVMPE-UHFFFAOYSA-N
• INCHI: 1S/C12H26O5Si2/c1-18(2,9-5-7-11(13)14)17-19(3,4)10-6-8-12(15)16/h5-10H2,1-4H3,(H,13,14)(H,15,16)
• Isomeric SMILES: C[Si](C)(CCCC(=O)O)O[Si](C)(C)CCCC(=O)O
• Molecular Weight: 306.50
• Reaxy-Rn: 1799574
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1799574&ln=

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: Fatty acids and conjugates Dicarboxylic acids and derivatives Trialkylheterosilanes Organic metalloid salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Disiloxane - Fatty acid - Dicarboxylic acid or derivatives - Trialkylheterosilane - Organoheterosilane - Organic metalloid salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - 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

• Molecular Weight: 306.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 306.132 Da
• Monoisotopic Mass: 306.132 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 285.000
• 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

References

1. Hongyan Cai, Wenli Luo, Yancheng Zheng, Yi Zhang, Lu Lai, Shanfa Tang.  (2021)  Thermodynamic Parameters and Interfacial Properties of Poly(ethylene glycol)-octyl Sulfosuccinates.  JOURNAL OF SURFACTANTS AND DETERGENTS,  24  (5): (749-760).  [PMID:] [10.1002/jsde.12497]