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
    4.1278   -0.1956   -0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8814   -0.4565    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781    0.3311   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9589    1.2802   -1.2352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    0.0394   -0.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6409    0.7539   -0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9318    0.2293   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0672   -1.2146   -0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0594    0.4374    1.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3259    0.6132   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9289   -0.7718    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -1.2705    0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5169    1.8118   -0.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674    0.6649   -1.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7536    0.8205   -0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580   -1.6898   -0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5667   -1.2375   -1.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865   -1.8117    0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6841   -0.3887    2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936    0.6932    1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536    1.3620    1.6883 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