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
    3.5261    0.2641   -0.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4677   -0.3911   -0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.2955   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0577    1.5306   -0.5611 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1098   -0.3939    0.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1545    0.1296    0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2071   -0.4419   -0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6066    0.0004    1.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449    1.3193   -1.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4450   -0.2818   -1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956   -1.4750   -0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022    1.2224    0.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385   -1.4999   -0.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2184   -0.3633   -0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2701    0.1554   -1.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6863   -0.2688    1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0399   -0.7522    2.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5358    0.9506    2.3012 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