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
    3.7126    0.0521    0.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833   -0.6077    0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -0.0304    0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872    1.1488   -0.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1444   -0.6813    0.3126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0489   -0.1073   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1381   -1.1555   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4812    1.0837    0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991    0.2695   -1.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139    1.0793    0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6237   -0.3907    1.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5721   -1.6099    1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8023   -2.1538   -0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0266   -0.8235   -0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4455   -1.1266    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726    0.6891    1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2468    1.6477    0.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6454    1.7177    0.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1608   -0.4360   -2.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8415    0.1562   -2.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    1.2784   -1.7522 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