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
    3.3952    0.2613    0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7219    1.1415    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570    0.7513   -0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8605    1.6294   -1.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9359   -0.4990   -0.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2095   -1.0617   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321   -0.5990   -0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9104    0.8232   -0.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7511   -0.8858    1.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3130    0.5313    1.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215   -0.7380    0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0954    2.1395    0.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -0.9917   -2.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1508   -2.1713   -0.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3031   -1.2116   -1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    1.5207    0.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7065    1.2066   -1.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0412    0.8941   -0.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.7157    1.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4960    0.0295    1.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8417   -1.0546    1.1703 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