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
    3.6140    0.6578    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2526   -0.5574    0.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8725   -1.0302    0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5657   -2.2034    0.8207 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8637   -0.2134   -0.0026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441   -0.7215   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    0.2697   -0.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837   -0.4236   -0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5593    1.4975    0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8835    1.3385   -0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6270    0.9807    0.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9953   -1.2387    1.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487   -1.0615    0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4302   -1.5940   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1686    0.5717   -1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8773   -1.0101   -1.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9181   -1.1224    0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5334    0.3941   -0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144    2.2406   -0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4096    1.3020    1.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5668    1.9237    0.0042 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