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
    3.8051    1.2630    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0747    0.1779    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6731    0.2545   -0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3434   -0.6733 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9225   -0.8606   -0.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4088   -0.9794   -0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993   -0.2955    0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    1.1767    0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8305   -0.6761   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3623    2.1778   -0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378    1.2141    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183   -0.7674    0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6499   -2.0956   -0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5989   -0.7846   -1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533   -0.7068    1.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6257    1.5543    1.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3582    1.4485    0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.7614   -0.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4509   -0.6658    0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2114    0.0625   -0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8792   -1.6674   -0.5507 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