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
    3.3152   -0.3183   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7219    0.8375    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798    0.9135    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    1.9632    0.4883 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293   -0.1950   -0.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8493   -0.2051   -0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102   -1.6011   -0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3781    0.1619    1.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821    0.7523   -1.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3872   -0.4139    0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7385   -1.1995   -0.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3514    1.6896    0.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4781   -2.3437   -0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1063   -1.9477    0.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6902   -1.6744   -1.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6378   -0.2048    2.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100   -0.4010    1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5624    1.2391    1.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.8214   -0.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2062    0.5709   -2.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912    0.5550   -1.0228 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