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
   -2.8199   -0.6000    1.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8033    0.1306    0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0198   -0.3788   -0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282    0.5936   -1.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980    1.5343   -2.0286 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345    0.2574   -2.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0107   -0.6159   -1.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9850   -1.3007   -2.0477 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4490   -0.5712   -0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968    0.6462    0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4796    0.3956    0.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4370   -0.2737    1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0772   -1.5540    0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547    1.0863    0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3896   -1.3283   -0.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284   -1.5031    0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547    0.9587    1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893    1.4870   -0.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052   -0.1435   -0.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011    1.3904    0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5935   -0.2111    1.6242 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