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
    4.1748   -0.2567   -0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9459   -0.2962    0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8162    0.0042   -0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190    0.2964   -1.6972 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5031   -0.0127   -0.0658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5904    0.2776   -0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052    0.1930   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0373    1.1443    0.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2344   -1.1910    0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0276   -0.4720    0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3826   -0.0097   -1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7964   -0.5454    1.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5110    1.2667   -1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783   -0.4803   -1.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6940    0.4617   -0.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9374    0.9043    1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1238    1.0472    1.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253    2.1759    0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3240   -1.1730    0.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -1.4029    1.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0174   -1.9313   -0.5188 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