4-((11-(Acryloyloxy)undecyl)oxy)benzoic acid

C₂₁H₃₀O₅CAS 106620-90-0362.47 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ester Ether

Properties

Molecular formula: C₂₁H₃₀O₅
Molar mass: 362.47 g/mol
Exact mass: 362.2093 Da
logP: 5.00Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 15

Identifiers

CAS number

106620-90-0

SMILES

C=CC(=O)OCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

InChIKey

ZVJGUPHNZQESPW-UHFFFAOYSA-N

InChI

InChI=1S/C21H30O5/c1-2-20(22)26-17-11-9-7-5-3-4-6-8-10-16-25-19-14-12-18(13-15-19)21(23)24/h2,12-15H,1,3-11,16-17H2,(H,23,24)

Weigh it out

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

Names and synonyms

1 names

4-(11-Acryloyloxyundecyloxy)benzoic acid

Work with 4-((11-(Acryloyloxy)undecyl)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-[[6-[(1-Oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoic acid83883-26-5100 % 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

Same formula

Cortisol50-23-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook