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
    4.0281   -0.1586   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1238   -0.5442    0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7601   -0.0175    0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140    0.7629   -0.7278 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -0.3345    1.0196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5673   -0.0159    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5566   -0.3741    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2786    0.2104   -1.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2497    0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7989    0.5372   -1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0318   -0.5317   -0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682   -1.2173    1.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9330   -0.4894    2.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7511    1.0992    1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964   -1.4605    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985   -0.4362   -1.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2459    0.1808   -1.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0496    1.2807   -1.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7493   -0.3440    0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862    1.2810    0.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9540    0.3220    1.6268 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