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
    3.7080    0.5286    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    0.8268   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532    0.2466    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2736   -0.5296    1.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1659    0.5269   -0.5705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0666   -0.0397   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1266    0.4939   -1.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264    0.2671    1.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0170   -1.5530   -0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6817   -0.1433    1.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6884    0.9201    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    1.4880   -1.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880   -0.1756   -1.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3954    1.5428   -0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6692    0.4799   -2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5343    0.2508    1.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972   -0.5262    1.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0017    1.2237    1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557   -1.8539   -0.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3576   -2.0864    0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6628   -1.8873   -1.1901 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