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
    3.6707    0.2322    0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4936   -0.3234    0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    0.2745    0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377    1.3244   -0.6186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280   -0.3244    0.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1932    0.2059   -0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8109   -0.8429   -1.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1776    0.4603    0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    1.1460   -0.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5740   -0.2154    0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595   -1.2402    1.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0719    1.1330   -0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9032   -0.7073   -1.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104   -1.8241   -0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2951   -0.8570   -2.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8835    1.2805    0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494    0.6981    1.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8177   -0.4204    1.1676 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