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
    3.8033   -0.0214   -0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7178    0.1666    0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    0.0207   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002   -0.2905   -1.2221 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2222    0.2005    0.6891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0596    0.0577    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0991    0.3337    1.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215   -1.3872   -0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3046    0.9998   -1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7956    0.0750    0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382   -0.2920   -1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391    0.4306    1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9255   -0.2266    2.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1293    1.4406    1.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897    0.0882    0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2916   -1.6856   -0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7715   -2.0476    0.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238   -1.5583   -1.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3938    1.1973   -1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121    1.9779   -0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9920    0.5207   -1.9861 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