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
    3.8121   -0.1207    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7525   -0.0371   -0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4356   -0.0475    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2909   -0.1365    1.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2589    0.0366   -0.7238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0242    0.0297   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3520   -1.2140    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158    1.2176    0.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0098    0.1108   -1.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7134   -0.1969    1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066   -0.1147   -0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8674    0.0382   -1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383   -1.3905    0.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8832   -1.1121    1.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -2.0599    0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3436    1.0460    1.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524    2.1506    0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6438    1.2726    1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185    0.2183   -0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9147   -0.7374   -2.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103    1.0468   -1.9518 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