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
    2.9521    0.8133   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4752    0.8977   -0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563   -0.1816   -0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646   -1.4709   -0.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590   -1.7134   -1.2390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.3640   -0.7478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -1.7427   -0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9326   -2.3414    0.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231   -0.3087   -0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2988    0.4884    0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7671    0.4347    0.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666   -0.1121    0.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2038    0.9240   -1.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4529    1.6586    0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0427    1.8267    0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926    0.0453   -1.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063    1.5602    0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170    0.2164    1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2675    1.3211    0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983    0.5055    1.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2617   -0.4570    0.5055 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