Monomers

Isopropyl acrylate

Identifiers

IUPAC name
propan-2-yl prop-2-enoate
InchI
InChI=1S/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3
InchI Key
LYBIZMNPXTXVMV-UHFFFAOYSA-N
SMILES
C=CC(=O)OC(C)C
Canonical SMILES
CC(C)OC(=O)C=C
Isomeric SMILES
CC(C)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.124
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

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.6445   -0.2494   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290   -0.7000    0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2933    0.1147   -0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4126    1.2537   -0.7060 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -0.3543    0.0249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1662    0.2886   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0356    0.5629    0.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.4745   -1.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5334   -0.8125    0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8164    0.7371   -0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -1.6630    0.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9100    1.2848   -0.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715   -0.3402    1.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6761    1.4045    1.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0274    0.9135    0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3324    0.1983   -2.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8215   -0.9825   -0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2562   -1.1815   -1.7888 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
  6  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  6 12  1  0
  7 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers