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
    2.9854    1.6574   -0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5031    0.8122   -1.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    0.1399   -1.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833   -0.6668   -2.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107    0.3427   -0.1566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245   -0.2797    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7392   -1.7861    0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8412    0.0965   -0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978    0.1668    1.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9438    2.1147   -0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    1.8977    0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723    0.6029   -2.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2941   -2.2613   -0.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1679   -2.2139    1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3405   -2.0596    0.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650   -0.7558   -1.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5432    0.9644   -1.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7865    0.3875   -0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3937    0.0820    1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374    1.2134    1.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985   -0.4552    2.2115 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