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
    3.6139   -0.5082    0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4994    0.0265    0.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2461   -0.2921    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871   -1.0733   -0.9623 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437    0.2427    0.4602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1959   -0.0490   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445   -0.6644    0.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7869    1.2640   -0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327   -0.2478    0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830   -1.1750   -0.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835    0.7060    1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0907   -0.7503   -1.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6120   -1.2665    1.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6201    0.1790    1.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9282   -1.2770    0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5959    1.4135   -1.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8802    1.3324   -0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348    2.1397   -0.0769 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