Monomers

3-Ethyl-4-ethylideneoxolane-2,5-dione

Identifiers

IUPAC name
3-ethyl-4-ethylideneoxolane-2,5-dione
InchI
InChI=1S/C8H10O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3,6H,4H2,1-2H3
InchI Key
JPQAIRCYDQEYKM-UHFFFAOYSA-N
SMILES
CC=C1C(=O)OC(=O)C1CC
Canonical SMILES
CCC1C(=CC)C(=O)OC1=O
Isomeric SMILES
CCC1C(=CC)C(=O)OC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H10O3
Heavy Atom Count
11
Molecular Weight
154.165
Exact Molecular Weight
154.063
Valence Electrons
60
Radical Electrons
0
tPSA
43.37
MolLogP
1.0423
H Bond Acceptors
3
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

 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.5403   -0.7721    0.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2496   -0.7811    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6951    0.3439   -0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1405    1.7163   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221    2.0671    0.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0303    2.5367   -0.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0679    1.7636   -0.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2533    2.1231   -0.6234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5718    0.4328   -1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5281   -0.6770   -0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9323   -0.7196    0.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4007   -0.7021    0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6612   -1.6892    1.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4986    0.0754    1.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8294   -1.7548   -0.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503    0.4815   -2.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238   -0.5894   -1.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403   -1.6379   -0.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7134    0.0282    0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3994   -1.7148    0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0872   -0.5304    1.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers