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
    3.4209   -0.8870    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7760   -0.5476   -0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063    0.1708   -0.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8687    0.5066   -1.8714 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9198    0.5276    0.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2329    1.1740    0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5502    0.5885    0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989    0.3182   -1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7683   -0.7022    1.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345   -0.6467    1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3646   -1.4189    0.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1494   -0.7797   -1.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.2600    0.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2085    1.2982    1.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3668    1.2685    0.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7122    1.1730   -1.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5181   -0.6347   -1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367    0.1830   -1.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1806   -0.6685    2.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -1.5362    0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8501   -0.8453    1.3736 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