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
    3.0525   -0.0165    0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642   -1.1576    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015   -1.1637   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705   -2.2012   -0.3388 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.0207    0.1498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1355    0.0546    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4692    0.9749   -1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8393    0.4522    1.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1111    0.0424    0.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4864    0.8935    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0330   -2.0418   -0.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051   -0.9575   -0.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6749    0.8484   -1.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5463    2.0352   -0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256    0.6362   -1.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8193   -0.3972    1.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9078    0.6242    1.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4505    1.3946    1.7209 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