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4-(2-Furanyl)-4-(tert-butyldimethylsiloxy)-1-butene structure
4-(2-Furanyl)-4-(tert-butyldimethylsiloxy)-1-butene structure

4-(2-Furanyl)-4-(tert-butyldimethylsiloxy)-1-butene

Iupac Name:sodium;2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
CAS No.:67430-45-9
Molecular Weight:330.3
1. Names and Identifiers
1.1 Name
4-(2-Furanyl)-4-(tert-butyldimethylsiloxy)-1-butene
1.2 Synonyms

{[1-(2-Furyl)-3-buten-1-yl]oxy}(dimethyl)(2-methyl-2-propanyl)silane Silane, (1,1-dimethylethyl)[[1-(2-furanyl)-3-buten-1-yl]oxy]dimethyl-

1.3 CAS No.
67430-45-9
1.4 CID
16204922
1.5 Molecular Formula
C9H16ClNO2 (isomer)
1.6 Inchi
InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1
1.7 InChkey
KYITYFHKDODNCQ-UHFFFAOYSA-M
1.8 Canonical Smiles
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
1.9 Isomers Smiles
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
2. Computational chemical data
  • Molecular Weight:330.3g/mol
  • Molecular Formula:C9H16ClNO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:330.08680324
  • Monoisotopic Mass:330.08680324
  • Complexity:508
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.4
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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