4-((6-(Acryloyloxy)hexyl)oxy)benzoic acid

C₁₆H₂₀O₅CAS 83883-26-5292.33 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ester Ether

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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 10

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

12 names

4-[[6-[(1-Oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoic acid
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-(Acryloyloxy)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-(4-Acryloxy-butyl-1-oxy)-benzoic acid69260-42-097 % similar 4-(3-(Acryloyloxy)propoxy)benzoic acid245349-46-693 % similar 6-(4-Hydroxyphenoxy)hexyl prop-2-enoate161841-12-970 % similar 4-Methoxyphenyl 4-((6-((1-oxo-2-propen-1-yl)oxy)hexyl)oxy)benzoate82200-53-162 % similar 4-([6-(Methacryloyloxy)hexyl]oxy)benzenecarboxylic acid91652-00-561 % similar 4-(Hexyloxy)benzoic acid1142-39-860 % similar 4-(Heptyloxy)benzoic acid15872-42-160 % similar

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

Elsewhere

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