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
    3.0732    0.4063   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6597   -0.4977    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2633   -0.6932    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971   -1.5693    1.3254 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2442    0.0340   -0.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206   -0.1773    0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9321   -0.5269   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6854    1.0705    0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1147    0.5733   -0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3705    1.0468   -1.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4065   -1.0951    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2251   -0.9989    0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3338   -0.9218   -1.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7261   -1.2451   -0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    0.3846   -1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3120    1.6017    0.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3618    0.8311    1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8811    1.7770    1.1121 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