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
    3.3682   -0.0402   -0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7547    0.8793    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216    0.8730    0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6982    1.7176    1.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4827   -0.0872   -0.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8585   -0.1499    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7383    0.9400   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3248   -1.4234   -0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152   -0.4594    1.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252   -0.8282   -1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4264   -0.0412   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3696    1.6629    0.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3223    0.6934   -1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5157    1.1360    0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2748    1.9168   -0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1767   -1.8724   -0.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6991   -1.1380   -1.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5088   -2.1710   -0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2146   -0.8673    2.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215   -1.2045    1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4764    0.4637    2.0532 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