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
    3.5809   -0.2966   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103   -0.5725    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168   -0.0101   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1113    0.7381   -1.3363 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -0.2699    0.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    0.2624    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357   -0.8655   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7660    1.1223    1.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5289    0.3417   -1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5524   -0.6992   -0.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023   -1.2156    0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0406    0.8890   -0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9439   -0.8978    0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354   -1.8528   -0.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6474   -0.6528   -1.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8632    1.0275    1.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110    0.7602    2.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5249    2.1916    0.9754 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