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
    3.1267    1.0787   -0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6877   -0.1381   -0.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964   -0.5282   -0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -1.6919   -0.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530    0.3919    0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8951   -0.0007    0.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6643    1.1592    0.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489   -1.1440    1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6029   -0.3310   -1.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1471    1.3609   -0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642    1.8040   -0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3958   -0.8237   -1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8175    0.9606    1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7049    1.2180    0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761    2.1281    0.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0704   -1.0430    1.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7065   -1.1540    1.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7594   -2.1337    0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0340    0.6270   -1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4394   -1.0137   -0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9532   -0.7264   -1.8073 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