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
   -2.1971   -1.1963   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0970   -0.8417    0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7918    0.5936    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7048    1.3830   -0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6740    2.0952   -0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669    1.0928   -1.5955 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1670    0.7558   -1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100    0.3538   -2.3694 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072    0.9747   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7211    0.3279    0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8944   -1.1332    0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4978   -2.2412   -0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8273   -0.4289   -0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5211   -1.6588    0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8948    0.9770    1.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6002    2.1058    0.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6019    0.8961   -0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8325    0.5855    1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3566   -1.6396   -0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7738   -1.7150    1.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0079   -1.2866    0.1042 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