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
    2.9647   -0.0301    0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664    0.8249   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1900    0.8910   -0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8016    1.6965   -1.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2842    0.0469    0.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0864   -0.0120   -0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643    0.3356    0.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5295   -1.3340   -0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9898   -0.1104    1.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733   -0.7271    1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880    1.4876   -0.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2713    0.7575   -1.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0603    1.4320    1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9649   -0.1306    0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5409   -0.0725    1.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6406   -1.9476   -1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0505   -1.9186    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492   -1.1892   -1.6179 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