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
    1.6720    1.5033   -1.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1216    0.3053   -1.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9074   -0.4042    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5871   -1.7430    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8338   -1.8631   -0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6026   -2.7205    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510   -2.1311   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6737   -2.7106   -0.4633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5017   -0.7460    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5265    0.1135   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4372    1.5589    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9939    2.0311   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8432    2.0570   -2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8224   -0.1673   -2.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910    0.0819    1.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7004   -0.7760    1.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -0.0447   -1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295   -0.2492    0.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616    1.8085    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448    2.1124   -0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237    1.9839    0.4636 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