Monomers

tert-Butyl acrylate

Identifiers

IUPAC name
tert-butyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3
InchI Key
ISXSCDLOGDJUNJ-UHFFFAOYSA-N
SMILES
C=CC(=O)OC(C)(C)C
Canonical SMILES
CC(C)(C)OC(=O)C=C
Isomeric SMILES
CC(C)(C)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5141
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 21 20  0  0  0  0  0  0  0  0999 V2000
    3.3662    0.1773   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781   -0.6678    0.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2299   -0.6480    0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5427   -1.4430    1.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476    0.2378   -0.1222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8642    0.2746   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4988    0.5690    1.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270    1.4197   -1.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4399   -0.9890   -0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505    0.8941   -0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    0.2225   -0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2317   -1.3549    1.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676    1.0963    0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702   -0.3282    1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8613    1.2852    1.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9435    1.1786   -2.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6519    2.3037   -0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081    1.6284   -0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3269   -0.7378   -1.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149   -1.6664    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099   -1.5133   -1.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  7 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers