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
   -2.7668    0.6963    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8227   -0.1044    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7465   -1.0170    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368   -1.8152   -1.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3519   -2.8909   -1.4874 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1161   -1.1583   -2.1206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505   -0.0414   -1.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    1.0187   -2.0494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6511   -0.4326   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9555    0.6891    0.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    1.0355    0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7836    1.3466    1.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6146    0.8786   -0.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3365   -0.4686   -1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.7559    0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3466   -1.2766    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8878    0.4232    1.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4088    1.6264    0.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7278    1.9917    1.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517    0.2175    1.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6767    1.0372   -0.4721 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