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
    4.1827   -0.1978    0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9162   -0.3595    0.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476    0.0714   -0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1539    0.6076   -1.3539 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048   -0.0787    0.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    0.3664   -0.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8642    0.1547   -0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2411   -1.2622   -0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1580    1.0043    0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4349    0.2734   -0.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0015   -0.5068    0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7220   -0.8345    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961    1.4538   -1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2744   -0.1061   -1.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5249    0.5464   -1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586   -1.6971    0.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690   -1.3104   -0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9445   -1.8596   -1.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2669    0.3950    1.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1364    1.5518    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3761    1.7881    0.9353 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