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
    2.3252   -1.0227    0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0541    0.3982   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8658    0.9492    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485    2.3362   -0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3026    3.2604   -0.6324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8273    2.5491   -0.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.3971    0.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6226    1.2318    0.7090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4009    0.3131    0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8528   -0.7301   -0.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1597   -1.3206   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3011   -1.0927    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5622   -1.3240    1.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.6780   -0.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9409    0.9819   -0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3889   -0.0736    1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0418   -0.2467   -1.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1097   -1.5463   -0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1857   -2.3740   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1979   -1.2649    1.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0229   -0.7435   -0.4742 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