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
    1.2960   -1.8346    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6385   -0.7146   -0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8614    0.5448   -0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018    1.5956    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290    1.5825    0.8446 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6197    2.5148    0.9145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640    1.8490    1.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5989    2.2447    1.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4336    0.4901    0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6072    0.2225   -0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4778   -1.0683   -1.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3991   -1.9919    0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745   -2.7087    0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -0.6537   -0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6951    0.9173   -1.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -0.2622    1.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738    1.0517   -1.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5665    0.3473    0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602   -1.1329   -1.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4677   -1.9730   -0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5205   -1.0204   -1.6837 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