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
    1.3814    2.2354    0.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330    1.1039    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7904   -0.1098    0.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7371   -1.2462    0.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8598   -1.2759    1.4701 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1913   -2.2807    0.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1367   -1.7788   -0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762   -2.1868   -1.7073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163   -0.6567    0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0453    0.3812   -0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2307   -0.2668   -1.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675    3.1393    0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0216    2.2549    2.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6923    1.0845   -0.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.0797    2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1673   -1.0843    0.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2521    0.6795   -1.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3595    1.2470   -0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644    0.4702   -1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884   -0.6244   -2.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795   -1.1656   -0.7641 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