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
   -1.9813    1.5541   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1050    0.0799   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0815   -0.7125   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554   -2.1685   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140   -2.8901   -0.4665 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2036   -2.6300    0.3099 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0130   -1.5659    0.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1820   -1.5339    1.1027 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -0.2974    0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306    0.3601   -0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902    0.7387   -0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9588    1.9866    0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7731    2.0438   -1.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2131    1.8480    0.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0886   -0.2976   -0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3188    0.3025    1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1613   -0.4438   -1.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826    1.1782   -1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7157    1.6674   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984    0.8605    0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090   -0.0801   -0.4849 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