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
    2.3333    1.5392   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9627    1.0563   -0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588   -0.1946   -0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199   -1.2313   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911   -1.1668   -0.2531 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8816   -2.2926    0.4095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4747   -1.9731    0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -2.4554    1.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124   -0.9335   -0.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343   -0.1029   -0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9506    0.5212    0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7187    1.1162    0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    2.6425   -0.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0584    1.1908   -1.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075    1.7629   -0.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6696   -1.4152   -1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358    0.7032   -1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7134   -0.7665   -0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5903   -0.1903    1.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4709    1.5134    0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0308    0.6767    1.0779 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