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
   -2.0175    1.3370   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4870    0.1499   -0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5915   -0.5171    0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0529   -1.9483    0.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558   -2.4267    1.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -2.5214   -0.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -1.7357   -1.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8045   -1.8100   -2.2279 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406   -0.7396   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    0.4922   -0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5756    1.4579    0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8237    1.8910    0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6848    1.8340   -0.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -0.3250   -1.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5055   -0.0483    1.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4771   -1.2364    0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3016    0.2404   -1.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.9692   -1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263    1.5668    1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9791    2.4304    0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999    0.9398    1.2310 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