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
    3.0395   -0.2077    0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6224    0.3362   -0.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1654    0.4309   -0.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6916    0.9387   -1.8126 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2581   -0.0444    0.1688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1158    0.0460   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119    0.9173    1.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7965   -1.3110   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3395   -0.5793    1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.2773    0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086    0.7062   -1.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3691    0.5234   -1.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1076    0.2458    1.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9291    1.5388    1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4653    1.6175    0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8842   -1.1124    0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4306   -1.9713    0.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7130   -1.7974   -1.0733 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