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4-iodobut-2-en-2-yl(trimethyl)silane structure
4-iodobut-2-en-2-yl(trimethyl)silane structure

4-iodobut-2-en-2-yl(trimethyl)silane

Iupac Name:4-(bromomethyl)-2-fluoro-1-phenylmethoxybenzene
CAS No.:922719-77-5
Molecular Weight:295.151
1. Names and Identifiers
1.1 Name
4-iodobut-2-en-2-yl(trimethyl)silane
1.2 Synonyms

(4-iodobut-2-en-2-yl)(trimethyl)silane (4-iodobut-2-en-2-yl)trimethylsilane 1-iodo-3-trimethylsilyl-2-butene CTK4J6556 DTXSID90699760 Silane,(3-iodo-1-methyl-1-propenyl)trimethyl

1.3 CAS No.
922719-77-5
1.4 CID
58836551
1.5 Molecular Formula
C9H21NOSI2 (isomer)
1.6 Inchi
InChI=1S/C14H12BrFO/c15-9-12-6-7-14(13(16)8-12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
1.7 InChkey
YCHITSDJFZQYMX-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)COC2=C(C=C(C=C2)CBr)F
1.9 Isomers Smiles
C1=CC=C(C=C1)COC2=C(C=C(C=C2)CBr)F
2. 3D Conformer
3. Computational chemical data
  • Molecular Weight:295.151g/mol
  • Molecular Formula:C9H21NOSI2
  • Compound Is Canonicalized:True
  • XLogP3-AA:4
  • Exact Mass:294.006
  • Monoisotopic Mass:294.006
  • Complexity:218
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:9.2A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwIQAAEAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGwBAAAABTASgmAowBoAABACA AiBCAAACCAAgIAAIiAAGCKgMJiKEMRqCOCCkwBEIqBeAwCAOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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