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
    3.8036   -0.2214    0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7702    0.4728   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4262   -0.0636    0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554   -1.1810    0.6494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2883    0.5965   -0.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0059    0.1246   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3408   -0.0991    1.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9514    1.2181   -0.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3255   -1.1160   -0.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385   -1.1903    0.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125    0.1664    0.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382    1.4470   -0.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493   -0.2556    1.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8576    0.7921    1.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9959   -0.9689    1.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216    1.8880   -1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3564    1.8113    0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8102    0.7873   -1.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0361   -2.0491   -0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395   -1.0089   -1.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4427   -1.1502   -1.0124 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