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
    2.7051    0.7152    1.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0336    0.2771   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800   -0.6307    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1642   -1.8267   -0.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2784   -2.4188   -0.7972 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0161   -2.0935   -1.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0247   -1.2513   -1.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2372   -1.5328   -1.2889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3849   -0.0663   -0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2067    0.5459    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4916    1.1374    0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5444    1.3821    0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    0.3885    2.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3511    0.6062   -1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726   -1.0042    1.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412    0.6924   -1.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5779    1.3639    1.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3279   -0.2064    1.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2330    1.0437    0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3962    2.2348   -0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153    0.6435   -0.7692 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