Monomers

CID 86152285

Identifiers

IUPAC name
3-ethenyl-4-ethyloxolane-2,5-dione
InchI
InChI=1S/C8H10O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3,5-6H,1,4H2,2H3
InchI Key
OYYSZCVRQVKKMC-UHFFFAOYSA-N
SMILES
C=CC1C(=O)OC(=O)C1CC
Canonical SMILES
CCC1C(C(=O)OC1=O)C=C
Isomeric SMILES
CCC1C(C(=O)OC1=O)C=C
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
0.8982
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
   -2.1790    1.5964    0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8278    0.6679   -0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846   -0.2219    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1567   -1.6172    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5899   -2.2988    0.9697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019   -1.9102   -1.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.1839   -1.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7386   -1.3966   -2.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4269   -0.1140   -0.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512   -0.3863   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9738    0.6229    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409    1.7170    1.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9925    2.2622    0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3903    0.5952   -1.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2607   -0.0338    1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048    0.8649   -1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7658   -1.4069    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -0.3480   -0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6309    0.1541    1.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380    0.9479    1.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2941    1.4891    0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  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
  2 14  1  0
  3 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