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
    3.8293   -0.3813   -0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7367    0.3199   -0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4384   -0.1647    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3082   -1.2731    0.6394 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2893    0.5721   -0.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943    0.2081    0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547   -1.0920   -0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9406    1.2935   -0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338    0.0873    1.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8124   -0.0737   -0.4426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526   -1.3458    0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8086    1.2703   -0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0168   -1.2235   -1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2317   -1.9721    0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671   -1.0465   -0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6247    1.5659   -1.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    0.9101   -0.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8901    2.1482    0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9262   -0.8845    2.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7839    0.9534    2.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3530    0.1284    1.8255 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