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
    3.6593   -0.0778    0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896   -0.2066   -0.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2571    0.0360    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    0.3804    1.3802 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413   -0.1017   -0.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891    0.1257    0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924    1.2209   -0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9834   -1.1623    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5841   -0.2544   -0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7223    0.2137    1.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610   -0.4988   -1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0534    0.4207    1.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9926    1.0932   -1.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6562    2.2195   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0479    1.0966   -0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3319   -2.0580    0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4674   -1.1583   -0.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7181   -1.2887    0.8702 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