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
   -2.5242    0.9004   -1.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3147    0.9262   -0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6175   -0.1485    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656   -1.5231   -0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5423   -1.8894   -1.3762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2029   -2.3551    0.5457 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341   -1.5788    1.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075   -1.9076    2.6631 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065   -0.2240    0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255   -0.2831   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9044    0.9376   -0.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8078    1.9068   -1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4361    0.1855   -1.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3450    0.4790   -0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    1.8882    0.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796    0.5749    1.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -0.3459    0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -1.2111   -0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    1.2560   -1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892    1.7834   -0.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146    0.6286   -1.9565 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