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
    2.4505   -1.3003   -0.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7782   -0.9369    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0733    0.3285    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4246    1.2362    1.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    1.2371    2.0984 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565    2.1508    1.3818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7538    1.6019    0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8252    2.1998    0.5151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4265    0.1916    0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357   -0.2924   -0.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6087   -0.3879   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743   -0.6673   -1.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020   -2.2324   -0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7757   -1.5979    1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910    0.9117   -0.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338   -0.4754    1.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9457    0.4431   -1.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7294   -1.2661   -1.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0489    0.6073   -0.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520   -0.5501    0.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890   -1.2013   -1.0504 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