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
    3.6560    0.7091    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432    0.6947    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084    0.2996    0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3151   -0.0248   -1.0827 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0986    0.2642    0.7973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722   -0.1278    0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2629   -0.0885    1.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2767    0.7455   -1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8745   -1.5948   -0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6546    0.4315   -0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738    0.9981    0.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505    0.9774    1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5540    0.9220    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172   -0.5337    0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0475   -0.7680    1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787    1.6999   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336    0.2252   -2.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3370    1.0363   -1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3066   -1.7031   -1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -2.0475   -0.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518   -2.1154    0.5552 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