chempirical

1-Adamantylacrylate

C13H18O2CAS 121601-93-2206.28 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C13H18O2
Molar mass
206.28 g/mol
Exact mass
206.1307 Da
logP
2.68Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
121601-93-2
SMILES
C=CC(=O)OC12CC3CC(C1)CC(C3)C2
InChIKey
PHPRWKJDGHSJMI-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O2/c1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,9-11H,1,3-8H2

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Names and synonyms

1 names
  • Adamantan-1-yl Acrylate (stabilized with BHT)

Work with 1-Adamantylacrylate

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

3-Hydroxy-1-adamantyl acrylate216581-76-967 % similar 2-Methyl-2-adamantyl acrylate249562-06-956 % similar tert-Butyl acrylate1663-39-447 % similar Heptafluoroisopropyl acrylate13057-08-443 % similar Pentaerythritol tetraacrylate4986-89-442 % similar Polyethylene glycol diacrylate26570-48-942 % similar Acrylic anhydride2051-76-541 % similar 2,2,3,3-Tetrafluoropropyl acrylate7383-71-341 % similar

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

Same formula

Isoamyl phenylacetate102-19-2 Phenylethyl isovalerate140-26-1 1-(4-Hydroxyphenyl)-1-heptanone14392-72-4 Ibuprofen15687-27-1 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl propionate17511-60-3 4-Hexylbenzoic acid21643-38-9 Phenylethyl 2-methylbutyrate24817-51-4 P-tert-Butylphenyl glycidyl ether3101-60-8

Elsewhere

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