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
   -2.1781   -0.9529    2.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5329   -1.8126    1.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5785   -1.3930    0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0463   -2.1696   -0.1785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3425   -0.0437    0.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5270    0.5117   -0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    0.1509   -1.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4231    2.0295   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9729    0.1554   -0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -1.3370    3.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0485    0.1141    2.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075   -2.8917    1.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830   -0.9143   -2.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9124    0.5621   -2.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7783    0.7267   -2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686    2.5474   -0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3709    2.3221    0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5016    2.4048   -0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317   -0.9631   -0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5569    0.5300   -1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3918    0.4233    0.6538 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