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
    3.6610   -0.0308    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5001    0.3924   -0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814   -0.1431    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2698   -1.0048    1.0442 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0108    0.2756   -0.3103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1807   -0.2446    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9129    0.9214    0.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0949   -0.8129   -0.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762   -0.7692    0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6027    0.3545   -0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5039    1.1337   -1.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0118   -0.9879    1.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4661    1.8982    0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9816    0.9665    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8482    0.8708    2.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0494   -0.1774   -1.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -0.8063   -0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8369   -1.8359   -1.1076 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