chempirical

3-Hydroxy-1-adamantyl acrylate

C13H18O3CAS 216581-76-9222.28 g/mol

Open in Covalent MOL file
OOOH
AlcoholAlkeneEster

Properties

Molecular formula
C13H18O3
Molar mass
222.28 g/mol
Exact mass
222.1256 Da
logP
1.80Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
216581-76-9
SMILES
C=CC(=O)OC12CC3CC(CC(O)(C3)C1)C2
InChIKey
DKDKCSYKDZNMMA-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O3/c1-2-11(14)16-13-6-9-3-10(7-13)5-12(15,4-9)8-13/h2,9-10,15H,1,3-8H2

Weigh it out

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

Names and synonyms

7 names
  • 2-Propenoic acid, 3-hydroxytricyclo[3.3.1.13,7]dec-1-yl ester
  • 1-Acryloyloxy-3-adamantanol
  • 1,3-Adamantanediol monoacrylate
  • 1-Acryloyloxy-3-hydroxyadamantane
  • Adamantate HA
  • HADA
  • 3-Hydroxyadamantan-1-yl prop-2-enoate

Work with 3-Hydroxy-1-adamantyl acrylate

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

1-Adamantylacrylate121601-93-267 % similar 3-Hydroxy-1-adamantyl methacrylate115372-36-656 % similar 2-Methyl-2-adamantyl acrylate249562-06-945 % similar 2-(3-Hydroxy-1-adamantyl)-2-oxoacetic acid709031-28-742 % similar tert-Butyl acrylate1663-39-438 % similar 3-Amino-1-adamantanol702-82-938 % similar (αS)-Α[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid361442-00-435 % similar Heptafluoroisopropyl acrylate13057-08-435 % similar

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

Same formula

Hexyl 4-hydroxybenzoate1083-27-8 4-(Hexyloxy)benzoic acid1142-39-8 1,1-Diethoxy-3-phenyl-2-propanone19256-31-6 3,5-Diisopropylsalicylic acid2215-21-6 Hexyl salicylate6259-76-3

Elsewhere

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