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
    3.7047   -0.0329   -0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4996   -0.4146   -0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2953    0.1465    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3702    1.0168    0.9873 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537   -0.2485   -0.3021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703    0.2014    0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0693    0.8217   -0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9699   -0.8942    0.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7855    0.7169    0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5837   -0.4611   -0.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -1.1664   -1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9831    0.9648    0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2665    0.0921   -1.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0629    0.9652   -0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490    1.8042   -1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5073   -0.5083    1.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6662   -1.3178    0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2830   -1.6859    1.2403 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