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
    1.5805    1.0062   -1.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2908    0.0447   -0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8422    0.3513    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565   -0.5531    1.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -0.1859    2.3809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124   -1.7806    1.6868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734   -1.6176    1.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0135   -2.5419    0.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5264   -0.1847    1.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6261    0.3270    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5745    0.1035   -1.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5085    2.0774   -1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    0.8367   -2.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763   -0.9762   -0.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9701    1.4087    1.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7366    0.0944    2.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5821   -0.0803    0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6994    1.4375    0.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074   -0.6727   -1.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5971   -0.1460   -1.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020    1.0517   -1.6304 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