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
    4.2879   -0.2782    0.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1701    0.3576    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9325   -0.3798    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053   -1.6542    0.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7044    0.2282   -0.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4881   -0.5423   -0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6873    0.3196   -0.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -0.5797   -0.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8854    1.3437    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2057    0.2595    0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3005   -1.3477    0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    1.4307    0.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3436   -1.1585   -1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6394   -1.2389    0.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5763    0.8770   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7416   -0.0182   -1.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1071   -1.0439    0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794   -1.3946   -1.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4530    1.0037    1.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3129    2.2508    0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9727    1.5652    0.7275 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