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
    3.8131    0.4578   -0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7471   -0.3155   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4127    0.2379   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649    1.4709   -0.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3294   -0.5676    0.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9954   -0.1947    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5663    0.5296   -1.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140    0.5911    1.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8097   -1.4927    0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    1.5345   -0.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7887    0.0391   -0.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -1.3855   -0.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4295    1.1381   -0.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0009   -0.1715   -1.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8720    1.1794   -1.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869   -0.0423    2.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2639    1.0499    1.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9200    1.4248    1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7921   -1.3037    0.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9675   -1.9359   -0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2715   -2.2436    0.8771 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