Monomers

Methacryloxysulfolane

Identifiers

IUPAC name
(1,1-dioxothiolan-2-yl) 2-methylprop-2-enoate
InchI
InChI=1S/C8H12O4S/c1-6(2)8(9)12-7-4-3-5-13(7,10)11/h7H,1,3-5H2,2H3
InchI Key
WPTHNYUICULUIA-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OC1CCCS1(=O)=O
Canonical SMILES
CC(=C)C(=O)OC1CCCS1(=O)=O
Isomeric SMILES
CC(=C)C(=O)OC1CCCS1(=O)=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H12O4S
Heavy Atom Count
13
Molecular Weight
204.247
Exact Molecular Weight
204.0456
Valence Electrons
74
Radical Electrons
0
tPSA
60.44
MolLogP
0.6404
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.1181   -0.2313   -1.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9294    0.0849   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0007    0.2275    0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6142    0.2440    0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4884    0.5126    1.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4376    0.1109   -0.1643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8422    0.2573    0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410    1.1541   -0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1464    0.7249   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2305   -0.7311   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6680   -1.3282    0.1702 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.9329   -1.9823    1.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9512   -2.1783   -0.8124 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0570    0.6581   -2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701   -0.7855   -1.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.9333   -1.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0110    0.1257    0.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9321    0.4614    1.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515    0.4896    1.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151    0.8614   -1.4976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004    2.2127   -0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9124    1.3415   -0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1919    0.7474    1.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0578   -1.2584   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2254   -0.7856   -1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers