Monomers

Isobutyl acrylate

Identifiers

IUPAC name
2-methylpropyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
InchI Key
CFVWNXQPGQOHRJ-UHFFFAOYSA-N
SMILES
C=CC(=O)OCC(C)C
Canonical SMILES
CC(C)COC(=O)C=C
Isomeric SMILES
CC(C)COC(=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
1.3716
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
    3.5791   -0.7722   -0.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3315    0.4697   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9735    0.9756    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786    2.1828    0.4492 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8704    0.1556   -0.1099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4140    0.7221    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141   -0.2478   -0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8339    0.4938   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5264   -1.4284    0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7385   -1.4458   -0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5536   -1.1992   -0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1675    1.1239    0.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5607    1.2066    1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    1.5358   -0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696   -0.5768   -1.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8324    1.4754   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6366   -0.1813   -0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9282    0.6822    1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2837   -1.0978    1.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9094   -2.2804    0.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5935   -1.7940    0.7264 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
  7  8  1  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  6 13  1  0
  6 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