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
    4.2363   -0.7943   -0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9589   -0.9983   -0.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343   -0.0952   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3137    0.9076    0.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5916   -0.2936   -0.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3272    0.6391    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7564    0.2932   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6390    1.3694    0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1486   -1.0766    0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6189    0.0509    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9628   -1.5017   -0.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484   -1.8583   -1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0960    1.6738   -0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2186    0.6569    1.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9106    0.3690   -1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0612    2.3132    0.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5661    1.5084   -0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8219    1.0805    1.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2330   -1.1786    0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104   -1.2492    1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6760   -1.8163   -0.3986 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