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
    3.8164   -0.0254    0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7184   -0.6404    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4113   -0.0012    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3528    1.1368    0.6796 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2464   -0.5928   -0.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389   -0.0621   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0389   -1.0777   -0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3824    0.1149    1.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2222    1.2348   -0.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7598   -0.5431    0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968    0.9631    0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7394   -1.6179   -0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6676   -1.5128    0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338   -0.5709   -1.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4848   -1.8208   -1.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657    0.5989    1.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4608   -0.9183    1.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6004    0.6575    1.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817    1.2525   -1.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8619    2.0864   -0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3022    1.3386   -1.1027 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