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
    3.9806    0.5560    0.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360   -0.2999    0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7325    0.0834    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3849    1.2446    0.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8232   -0.7344   -0.5391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038   -0.6293   -0.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5413   -0.4918    0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3945    0.7338    1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884   -0.3799   -0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0064    0.2857    1.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6595    1.5530    1.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5052   -1.2847    0.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7455   -1.5620   -1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6409    0.2263   -1.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5598   -1.4021    0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6699    0.5999    1.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2236    1.6096    0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4297    0.9344    1.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6049   -1.0280   -0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8085   -0.7059   -1.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2176    0.6911   -0.5839 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