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
    3.6454    0.9164   -0.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    0.1273   -0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3441    0.4650   -0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2502    1.5026    0.3581 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2115   -0.3065   -0.4498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097    0.0235    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8947    0.1063    1.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9714   -1.1019   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5939    1.2961   -0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596    1.8191   -0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5828    0.6544   -1.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231   -0.7580   -1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9026   -0.0845    2.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2397   -0.6951    2.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912    1.1189    2.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9457   -0.9450    0.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0118   -1.1567   -1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4706   -2.0445    0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468    2.1595   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862    1.4406    0.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7675    1.2230   -1.4460 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