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
   -2.1506    0.9865    0.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579    1.0891    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8123   -0.0226   -0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7002   -1.1776   -0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8396   -1.4464   -0.9565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041   -1.9532    0.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3544   -1.7408    0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3363   -2.3211    0.7346 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5031   -0.6358   -0.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156    0.1235   -0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270    0.8176    0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6988    0.0291    0.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629    1.7677    1.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846    2.0625    0.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793    0.2551   -1.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6390   -1.1678   -1.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984   -0.5419   -0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8712    0.9133   -1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878    0.7761    1.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678    0.2857    1.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5895    1.9010    0.7730 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