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
   -2.3882    1.3495    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552    0.1289    0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9410   -0.5598    0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -1.6397   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1826   -2.8530   -0.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618   -1.0114   -1.5818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    0.2196   -1.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3261    1.1193   -2.1532 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2039    0.2997    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4879   -0.4419    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7128    0.2932    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3600    1.8228   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5488    1.9509   -0.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1522   -0.3907    0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7661   -0.9504    1.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1853    1.3124    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591   -1.4578    0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342   -0.6022    1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2131    0.8124    0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4633   -0.4397   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783    1.0377   -0.7871 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