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
    3.4060    0.2086   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8007   -0.8910   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4927   -0.7252    0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8775   -1.7509    0.8128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9446    0.4948    0.6546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2397    0.7848    1.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182    0.3568    0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7391    0.9099   -0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8962   -1.0684    0.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9973    1.1930   -0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3714    0.2047   -1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2113   -1.8635   -0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3086    1.9283    1.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2738    0.5189    2.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3274    0.8974    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0888    1.9597   -0.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5785    0.3163   -1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.8427   -1.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617   -1.5708    1.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5780   -1.6461   -0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417   -1.0998    0.6751 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