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
    3.6232    0.8256    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0602   -0.2448   -0.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6944   -0.6431   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850   -1.6718   -0.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8947    0.0876    0.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247   -0.2894    1.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3455   -0.3431   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3959    1.0413   -0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7741   -0.6299    0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0822    1.4627    0.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347    1.1207   -0.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370   -0.8452   -1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8150    0.4906    1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4640   -1.2405    1.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634   -1.1322   -0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390    1.7810    0.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044    1.1412   -1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3463    1.1908   -1.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814    0.2050    0.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7730   -1.5992    0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3847   -0.7073   -0.5341 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