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
    3.7175    0.2184   -0.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438    0.8717    0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6368    0.5162    0.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074    1.1459    1.5535 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0451   -0.4793    0.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2189   -0.9820    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3832   -0.1891   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6807   -1.0316   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151    1.0636    0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2584   -0.5874   -1.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7415    0.4467   -0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4970    1.6736    0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4314   -1.4880    1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2053   -1.9165   -0.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2853    0.0464   -1.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8287   -1.1068    0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862   -2.0252   -0.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5218   -0.4984   -0.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984    1.9063    0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133    0.9766    1.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6792    1.4388    0.1059 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