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
    3.5956   -0.6520    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883   -0.2522    0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308   -0.2572    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085   -0.6463   -1.1625 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0313    0.1452    0.5879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432    0.1054   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7472    1.5110   -0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2096   -0.7627    0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5458   -0.6598    0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966   -0.9891   -0.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397    0.0738    1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -0.2745   -1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6206    1.4284   -0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180    2.2200   -0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1002    1.7826    0.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2196   -0.3717    0.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1450   -0.5817    1.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1058   -1.8194    0.1888 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