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
    4.3102    0.4595    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0731    0.6651   -0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780   -0.0948    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2009   -0.9490    1.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966    0.1270   -0.2258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3727   -0.6036    0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7006   -0.2160   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7554   -1.0824    0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0560    1.2159   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5049   -0.2684    0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1069    1.0254   -0.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8673    1.3976   -1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741   -0.4251    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2028   -1.6764    0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7582   -0.4853   -1.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022   -0.7789    1.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7036   -0.9776   -0.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878   -2.1083    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4877    1.3648    0.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2029    1.9140   -0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8340    1.4964   -0.7989 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