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
    3.3753    0.8087   -0.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3286   -0.0239    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0233   -0.5149    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338   -1.3259    1.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485   -0.1354   -0.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3628   -0.6689    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487   -0.1582   -0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862   -0.8135    0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6079    1.3338   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3425    1.1955   -1.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    1.1464   -1.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065   -0.3437    0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5331   -0.4782    1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2753   -1.7855    0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -0.4953   -1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5587   -1.9063    0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7006   -0.5850   -0.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554   -0.5138    1.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4215    1.6625    0.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7515    1.8511   -1.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667    1.7504    0.0811 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