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
    3.3236   -0.2611   -1.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -0.6729   -0.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2528   -0.1375   -0.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7797    0.6804   -1.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4199   -0.5151    0.2783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8591    0.0061    0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9133    1.5044    0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7556   -0.3895   -0.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4628   -0.5716    1.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3206   -0.6362   -2.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672    0.4486   -2.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0118   -1.3797   -0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9111    1.7254    1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135    1.9841   -0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1628    1.8980    1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2932   -1.3324   -0.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4748    0.4329   -0.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1453   -0.6432   -1.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0629   -1.5784    1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1794    0.0900    2.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5543   -0.6523    1.6090 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