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
    3.0424   -0.0169   -0.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6252    0.4127   -0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8047   -0.1763    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390   -1.2918    1.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -1.6088    1.6157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0554   -1.9460    1.4553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1153   -1.3140    0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2217   -1.8174    0.4787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389    0.0686    0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3439    0.7338   -0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    0.9238   -0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248   -1.1349   -0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6257    0.2912    0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5507    0.4007   -1.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3247    1.2285   -1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6977    0.6308    1.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487    1.6575   -0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3672    0.0397   -1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181    0.3626    0.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5009    0.5521   -0.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9335    2.0041    0.0213 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