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
    3.5410    0.6836    0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588   -0.0109    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572    0.4380    0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0585    1.4927   -0.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0258   -0.3177    0.3126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2622    0.0620   -0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763   -1.0442   -1.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2092    0.1376    0.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5293    1.6026   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739    0.3287    0.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065   -0.9425    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2123    1.0228   -0.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7040   -0.9387   -1.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579   -0.9558   -2.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4457   -1.9939   -0.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    0.4819    1.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694   -0.8974    1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    0.8509    0.8386 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