chempirical

4-[[6-[(1-Oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoic acid

C16H20O5CAS 83883-26-5292.33 g/mol

Open in Covalent MOL file
OOOOOH
AlkeneCarboxylic acidEsterEther

Properties

Molecular formula
C16H20O5
Molar mass
292.33 g/mol
Exact mass
292.1311 Da
Melting point
92–93 °C
logP
3.05Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
10

Identifiers

CAS number
83883-26-5
SMILES
C=CC(=O)OCCCCCCOc1ccc(C(=O)O)cc1
InChIKey
FLPSQLAEXYKMGQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H20O5/c1-2-15(17)21-12-6-4-3-5-11-20-14-9-7-13(8-10-14)16(18)19/h2,7-10H,1,3-6,11-12H2,(H,18,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-
  • Benzoic acid, 4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]-
  • 4-[[6-(Acryloyloxy)hexyl]oxy]benzoic acid
  • 4-(ω-Acryloyloxyhexyloxy)benzoic acid
  • 4-(Acryloyloxyhexyloxy)benzoic acid
  • 4-(6-Acryloyloxyhex-1-yloxy)benzoic acid
  • 4-[[6-(Acryloxy)hexyl]oxy]benzoic acid
  • 6OBA
  • 4-(6-Acryloylhex-1-yloxy)benzoic acid
  • 4-(6-Propenoyloxyhexyloxy)benzoic acid
  • 4-(6′-Acryloyloxyhexyloxy)benzoic acid

Work with 4-[[6-[(1-Oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoic acid

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

4-((11-(Acryloyloxy)undecyl)oxy)benzoic acid106620-90-0100 % similar 4-Methoxyphenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate82200-53-162 % similar 4-(Hexyloxy)benzoic acid1142-39-860 % similar 4-(Heptyloxy)benzoic acid15872-42-160 % similar 4-(Nonyloxy)benzoic acid15872-43-260 % similar 4-(Undecyloxy)benzoic acid15872-44-360 % similar 4-(Dodecyloxy)benzoic acid2312-15-460 % similar Octyloxybenzoic acid2493-84-760 % similar

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

Elsewhere

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