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
   -0.9837    3.5382   -2.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3539    2.5033   -1.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2167    1.5048   -1.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8912    1.8117   -1.5775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556    0.3729   -0.4102 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5872   -0.5434   -0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0682   -1.7218    0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524   -1.2268    1.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927   -2.7123    0.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4048    4.4040   -2.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1555    3.4927   -2.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994    2.2643   -0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755   -0.9508   -1.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3648    0.0107    0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7725   -2.2168    0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5387   -1.4231    2.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0732   -1.7156    2.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2889   -0.1401    2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9068   -2.3108    1.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709   -3.7102    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804   -2.7714   -0.2349 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