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
    2.4343    0.2572   -1.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3275   -0.4381   -1.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -0.3177   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2716    0.7647    0.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629    0.7104    1.4000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6438    1.9359    0.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5205    1.6301   -0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827    2.4732   -1.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7631    0.1795   -0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540    0.0132    0.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6848   -1.4262    1.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9845    0.2136   -2.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8628    0.9325   -1.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9816   -1.0733   -2.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -1.2416    0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3117   -0.2820   -1.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5845    0.3759    0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760    0.6145    1.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6007   -2.1045    0.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6733   -1.5747    1.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251   -1.6426    2.0796 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