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
    1.7469   -1.5101    0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291   -0.2107   -0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299    0.7311   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8795    2.0029   -1.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8396    2.4522   -1.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3233    2.6432   -0.7939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354    1.8915    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3711    2.0269    0.2703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3136    0.8233    0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0883   -0.4276    0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6936   -1.0693   -0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8299   -1.2732    1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -2.1826   -0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6856   -2.0811   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5171   -0.0612   -1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    1.1885    1.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5190   -1.0958    1.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585   -0.0922    1.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8148   -1.0212   -0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3663   -0.5813   -1.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490   -2.1532   -0.3794 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