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
    3.5573    1.1344   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0520    0.0967   -0.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7378   -0.4413   -0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3189   -1.4312   -1.0494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9209    0.1054    0.5660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3469   -0.4320    0.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -0.4047   -0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6266   -1.0193    0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073    1.0262   -0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.6008    0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5296    1.5319   -0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -0.3541   -1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8040    0.2223    1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078   -1.4427    1.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527   -0.9859   -1.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9239   -0.4660    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3339   -0.7727   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410   -2.1038    0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6854    1.2065   -0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1478    1.2163   -1.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848    1.7132    0.0322 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