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
    3.7524   -0.1492   -0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954    0.1455    0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721   -0.0828   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0255   -0.5658   -1.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4068    0.2310    0.6318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9766    0.0681    0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6437    0.5583    1.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5334    0.8959   -0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3902   -1.3619    0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7815    0.0299   -0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5622   -0.5686   -1.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0479    0.5627    1.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3471   -0.1346    2.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392    0.5575    1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2947    1.5929    1.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422    0.5598   -1.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6549    0.7915   -0.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3455    1.9860   -0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8181   -1.9849    0.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2816   -1.7008   -0.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767   -1.4304    0.5503 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