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
    2.1744   -1.5265   -0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8594   -0.3207    0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214    0.3963   -0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751    1.7433   -0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    2.0964   -1.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071    2.5841   -0.6889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290    1.8393   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    2.1877   -0.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3462    0.7424    0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.4149    0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9181   -1.1060   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5975   -1.9870   -1.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -2.0550    0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    0.1678    0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2200   -0.2276   -1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1988    1.1325    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835   -1.1611    1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8683   -0.1045    1.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6559   -0.4534   -0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241   -1.6075   -0.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091   -1.9257    0.3920 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