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
    2.9803   -0.3372   -0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647   -0.7903    0.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1668   -0.6813    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6886   -1.0855    2.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2501   -0.1072    0.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    0.0315    0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3809    1.5355    0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0598   -0.5453   -0.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    0.1173   -1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0157   -0.4066   -0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2484   -1.2497    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032   -0.3907    1.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3827    1.7699    0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3018    1.8909    1.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6572    2.1026   -0.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7296   -0.2510   -1.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0290   -0.0020   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2776   -1.6009   -0.4674 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