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
    3.6635    0.3839   -0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288    0.0152   -1.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2921    0.1078   -0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174    0.5460    0.8510 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0720   -0.2838   -0.8836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0799   -0.1634   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8470   -1.0370    1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2401    1.2893    0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3213   -0.6225   -0.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878    0.7566    0.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5763    0.3204   -1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5232   -0.3586   -2.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7050   -1.7181    1.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0453   -1.6886    1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6585   -0.3848    2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4339    1.4316    1.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1148    1.7379   -0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678    1.9064   -0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3348   -0.3382   -1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073   -1.7208   -0.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959   -0.1793   -0.2161 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