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
   -2.6779    0.9313    0.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8408   -0.0708    0.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9789   -0.5367   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0911   -2.0042   -0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -2.6920   -0.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1055   -2.3886   -0.9969 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889   -1.4158   -0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2253   -1.4684   -1.2605 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4872   -0.4152    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116    0.9743   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    1.1416    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855    1.2449    1.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7370    1.4175   -0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636   -0.5785    1.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1939    0.0065   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850   -0.6983    1.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8163    1.2472   -1.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995    1.6658    0.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0446    1.1778   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949    2.1409    0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8554    0.3208    0.9023 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