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
    4.2856   -0.4291   -0.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0545   -0.2819   -0.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133   -0.3372   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025   -0.5336    1.1455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070   -0.1872   -0.5317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4502   -0.2584    0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932   -0.0723   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8398   -0.1636    0.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8854    1.1807   -1.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1493   -0.3953   -1.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4807   -0.5996    0.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105   -0.1176   -2.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4041   -1.2348    0.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668    0.5410    1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9085   -0.9379   -0.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6162   -1.0911    1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    0.6877    1.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8659   -0.2298    0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3121    2.0102   -0.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051    0.9815   -2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9562    1.4684   -1.1174 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