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
   -1.0852    3.4613    0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3062    2.2187    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    1.2227    0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9485    1.5162    0.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4396   -0.0789   -0.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343   -1.0623   -0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872   -1.5652   -1.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2856   -2.2492    0.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8645    4.1906    0.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890    3.7926    1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    1.9361    0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4890   -0.5967    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668   -2.4247   -1.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547   -1.8639   -2.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2478   -0.7756   -2.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0284   -1.9589    1.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700   -2.9459    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330   -2.8169    0.9000 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