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
   -1.9290   -1.3781    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5212   -0.1414    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5352    0.1747   -0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0368    1.3839   -1.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476    1.3745   -2.7869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978    2.4379   -0.7600 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266    2.0576    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639    2.5928    1.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7185    0.7888   -0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2738   -0.0663    0.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -1.4198    0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849   -2.2241   -0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6681   -1.6360    1.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    0.6342    0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3070   -0.6533   -1.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4568    1.0373   -1.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.4009    1.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248   -0.1113    1.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9390   -2.1495    1.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5169   -1.2581   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8443   -1.8447   -0.4041 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