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
    3.6690    0.2346   -0.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464   -0.2365   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3331    0.0365   -0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9811    0.7364   -1.2703 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3595   -0.4663    0.5807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9894   -0.1687    0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4119   -0.6832   -1.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1817    1.3335    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212   -0.7831    1.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7023    0.0359   -0.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942    0.8258   -1.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0273   -0.8284    0.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1445   -0.0065   -1.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272   -0.8071   -1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9076   -1.6648   -1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4915    1.8350    1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2079    1.5715    0.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0341    1.7755   -0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7895   -0.2075    2.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9418   -0.6858    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6645   -1.8467    1.4423 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