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
    3.7104    0.1857    0.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    0.8263    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4091    0.1094    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2901   -1.1148    0.5345 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481    0.6838   -0.2775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9672    0.0349   -0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584    1.0574   -1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5707   -0.4230    0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9661   -1.1378   -1.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635   -0.8513    1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6581    0.6864    0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865    1.8646    0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5976    2.0992   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0176    0.9778   -2.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9452    0.9767   -0.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8454    0.4532    1.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5132   -0.9543    0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8842   -1.1177    1.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9942   -1.2411   -1.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2946   -1.0071   -2.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7697   -2.1085   -0.8188 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