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
    3.8120    0.1876   -0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783   -0.8863   -0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582   -0.7302    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -1.7785    0.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0503    0.4472    0.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2163    0.7314    0.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3771    0.4555   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6380   -0.9691   -0.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6650    0.8927    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586    0.1368   -0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3907    1.1590   -0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988   -1.8559   -0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5075    0.3701    1.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2383    1.8687    0.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4124    1.0637   -1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233   -1.4045   -1.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7012   -1.0298   -1.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267   -1.5855    0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5761    0.6071    1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8367    1.9746    0.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5419    0.3454    0.0375 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