chempirical

Danishefsky'S diene

C8H16O2SiCAS 54125-02-9172.30 g/mol

Open in Covalent MOL file
OOSi
AlkeneEtherSilyl ether

Properties

Molecular formula
C8H16O2Si
Molar mass
172.30 g/mol
Exact mass
172.0920 Da
Density
0.89 g/mL
Boiling point
68–69 °C (at 14 Torr)
logP
2.51Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
54125-02-9
SMILES
C=C(/C=C/OC)O[Si](C)(C)C
InChIKey
SHALBPKEGDBVKK-VOTSOKGWSA-N
InChI
InChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b7-6+

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Names and synonyms

16 names · show all
  • Silane, [[(2E)-3-methoxy-1-methylene-2-propen-1-yl]oxy]trimethyl-
  • Silane, [(3-methoxy-1-methylene-2-propenyl)oxy]trimethyl-, (E)-
  • Silane, [[(2E)-3-methoxy-1-methylene-2-propenyl]oxy]trimethyl-
  • [[(2E)-3-Methoxy-1-methylene-2-propen-1-yl]oxy]trimethylsilane
  • trans-1-Methoxy-3-(trimethylsiloxy)-1,3-butadiene
  • (E)-1-Methoxy-3-(trimethylsilyloxy)-1,3-butadiene
  • trans-1-Methoxy-3-[(trimethylsilyl)oxy]-1,3-butadiene
  • (E)-(3-Methoxy-1-methylene-2-propenyloxy)trimethylsilane
  • Danishefsky-Kitahara diene
  • (E)-((3-Methoxy-1-(methylene)allyl)oxy)trimethylsilane
  • (E)-1-Methoxy-3-trimethylsiloxy-1,3-butadiene
  • [[(2E)-3-Methoxy-1-methylene-2-propenyl]oxy]trimethylsilane
  • E-1-Methoxy-3-[(trimethylsilyl)oxy]buta-1,3-diene
  • [((2E)-3-Methoxy-1-methyleneprop-2-en-1-yl)oxy]trimethylsilane
  • (E)-(4-Methoxybuta-1,3-dien-2-yloxy)trimethylsilane
  • [[(3E)-4-Methoxybuta-1,3-dien-2-yl]oxy](trimethyl)silane

Work with Danishefsky'S diene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trimethylsilyloxy)-1,3-butadiene38053-91-752 % similar Trimethyl[(1-methylethenyl)oxy]silane1833-53-037 % similar 4-Methoxy-3-buten-2-one4652-27-134 % similar Methyl trans-β-methoxyacrylate5788-17-033 % similar Trimethylsilyl methacrylate13688-56-731 % similar 2,2,7,7-Tetramethyl-4-[(trimethylsilyl)oxy]-3,6-dioxa-2,7-disilaoct-4-ene69097-20-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-[(Trimethylsilyl)oxy]-3-penten-2-one13257-81-3 [(3-Methoxy-1-methylene-2-propen-1-yl)oxy]trimethylsilane59414-23-2

Elsewhere

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