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
    3.0778    0.1610    0.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535    0.9172   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8601   -0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6866    1.6008   -1.3351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458    0.0162    0.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1409   -0.0169   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    0.2340    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4477   -1.3892   -0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1253    0.2068    1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4805   -0.5438    1.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2072    1.5913   -0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343    0.7141   -0.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3825   -0.7298    1.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652    0.8326    1.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621    0.7131    0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -1.9664   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1029   -1.3028   -1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5293   -1.8980   -1.0860 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