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
    2.2275    1.7213    0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6185    0.5480    0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -0.0242   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630   -1.3900   -0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8061   -1.6438   -1.3186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7415   -2.3204   -0.4446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5047   -1.7391   -0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859   -2.3678   -0.3376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4235   -0.2698   -0.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1478    0.4927    0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6174    0.1410    0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126    2.2627   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6574    2.1629    1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5462    0.0229    1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3243    0.5641   -1.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8528   -0.0194   -1.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0249    1.5731    0.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799    0.1228    1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8527   -0.2738   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673    1.0424    0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884   -0.6057    1.0784 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