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
    3.6538    0.2139    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4566   -0.3056    0.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680    0.2531    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2491    1.2826   -0.5845 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520   -0.3670    0.3094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1384    0.0996   -0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8251   -0.8523   -1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1348    0.5118    0.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4803   -0.2488    1.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.0973    0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3354   -1.2100    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8996    1.0154   -0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0074   -1.7970   -0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402   -1.0133   -2.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414   -0.4446   -1.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7971    1.4230    1.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -0.3177    1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1368    0.6595    0.3990 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