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
    3.7325   -0.5607   -0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7952    0.1430    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   -0.2096   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0582   -1.1883   -0.9166 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716    0.5161    0.3825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9891    0.2203    0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4530    0.2709   -1.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672    1.2973    0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -1.1276    0.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5060   -1.4040   -1.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7649   -0.3030   -0.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0186    0.9891    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4751   -0.1525   -1.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371    1.3553   -1.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961   -0.2015   -1.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8684    0.9794    2.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    2.2583    0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646    1.4597    0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5119   -1.8874   -0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214   -1.0305    1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5949   -1.4242    1.5268 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