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
    2.3043   -1.5300    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2509   -1.0634   -0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9540    0.3461   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497    1.0090   -1.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626    0.4996   -2.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2282    2.2188   -1.2063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2546    2.2582    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5163    3.2726    0.7469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3506    0.7873    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5664    0.2927   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8084   -1.1720   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9410   -0.8677    1.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062   -2.5901    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6755   -1.7402   -0.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868    0.9265    0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848    0.6970    1.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730    0.7343    0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6447    0.6648   -1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2545   -1.7717    0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5817   -1.5616   -1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9242   -1.4103   -0.1292 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