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
    1.6926    1.0020   -1.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    0.1478   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2004   -0.4277    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3553   -1.9444    0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758   -2.4878    0.4605 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1023   -2.4541    0.7073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631   -1.4643    0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790   -1.6875    0.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1735   -0.1259    0.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736    0.8647    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3735    0.8896    0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4543    1.2952   -2.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7522    1.4890   -1.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0175   -0.2460   -0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133   -0.1438    1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3638    0.0762    1.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1752    0.4781   -0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6416    1.9006    0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1244    0.3662    0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2812    0.5254    1.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598    1.9468    0.8141 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