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
    2.0777   -1.3898   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162   -0.2401   -0.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6437    0.6223   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165    1.9145    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    2.5685   -0.3131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3046    2.2412    1.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926    1.2242    1.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6206    1.3534    2.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660    0.0240    0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1181   -0.9318    0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1853   -0.3225   -0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9046   -1.9582   -0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6058   -1.8477    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764    0.1527   -1.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0719    0.8629   -1.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6583   -0.4450    1.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522   -1.7327   -0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6030   -1.4007    1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0094   -1.0924   -0.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8022   -0.1757   -1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6581    0.5729   -0.1022 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