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
    3.3601   -0.1303   -0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108   -1.1815    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1607   -1.1061    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181   -2.0845    0.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5592    0.1269   -0.1219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345    0.3266   -0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775    1.8015   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5386   -0.4578   -1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4611   -0.0499    1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4307   -0.1982   -0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8954    0.8249   -0.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736   -2.1381    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9119    2.1805    0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3439    1.9763   -1.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941    2.4152   -0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372   -0.5254   -2.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7847   -1.4803   -0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5206    0.0431   -1.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    0.0004    2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465    0.6878    1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9718   -1.0311    1.1579 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