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Home> Hot Product Listed 5   > 5,5-DIPHENYLHYDANTOIN-3-BUTYRIC ACID
38421-40-8 structure

5,5-DIPHENYLHYDANTOIN-3-BUTYRIC ACID

Iupac Name:methyl-[methyl(diphenyl)silyl]oxy-[methyl-[methyl(diphenyl)silyl]oxy-phenylsilyl]oxy-phenylsilane
CAS No.:38421-40-8
Molecular Weight:683.113
Molecular Formula:C20H36O4 (isomer)
Names and Identifiers
Synonyms

2,5-Dioxo-4,4-diphenyl-1-imidazolidinebutanoicAcid

Inchi
InChI=1S/C40H42O3Si4/c1-44(35-23-11-5-12-24-35,36-25-13-6-14-26-36)41-46(3,39-31-19-9-20-32-39)43-47(4,40-33-21-10-22-34-40)42-45(2,37-27-15-7-16-28-37)38-29-17-8-18-30-38/h5-34H,1-4H3
InChkey
XQVNZAVBAUQQHU-UHFFFAOYSA-N
Canonical Smiles
C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[Si](C)(C3=CC=CC=C3)O[Si](C)(C4=CC=CC=C4)O[Si](C)(C5=CC=CC=C5)C6=CC=CC=C6
Properties
Boiling Point
685.9°C at 760 mmHg
Refractive Index
1.601
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:683.113g/mol
  • Molecular Formula:C20H36O4
  • Compound Is Canonicalized:True
  • Exact Mass:682.221
  • Monoisotopic Mass:682.221
  • Complexity:820
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:27.7A^2
  • Heavy Atom Count:47
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB8MAwAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAAABVAAAGBAAAEAACACAMAByAIAAAAGA ACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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