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
    3.3426   -0.8056   -1.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9861   -0.8413   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7459   -0.1870    0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221   -0.2295    1.5470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    0.4511   -0.5908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2347    1.0813   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597    0.1780    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829   -0.9346   -0.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410    0.9730    0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7361   -0.3048   -2.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2494   -1.2670   -1.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222   -1.3505    0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0505    1.8321    0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5996    1.6482   -1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813   -0.2479    1.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1161   -1.7408    0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8456   -1.2737   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4770   -0.5330   -1.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9498    0.6028    1.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2928    2.0693    0.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2391    0.8799   -0.1753 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